SCHEMBL560350

SCHEMBL560350

CC(C=Cc1ccccc1)=CC=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PLIN1 O60240 2/20 0.52
RECQL P46063 2/20 0.52
PLIN5 Q00G26 2/20 0.52
ABHD5 Q8WTS1 2/20 0.52
TNKS O95271 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17331240 1.00 GLA (0.59) GLATDP1ALDH1A1TSHRLMNA
SCHEMBL560349 1.00 GLA (0.59) GLATDP1ALDH1A1TSHRLMNA
SCHEMBL8461888 0.93 TDP1 (0.52) GLATDP1ALDH1A1TSHRLMNA
SCHEMBL8461885 0.93 TDP1 (0.52) GLATDP1ALDH1A1TSHRLMNA
SCHEMBL10630418 0.87 ALDH1A1 (0.53) GLATDP1ALDH1A1TSHRLMNA
SCHEMBL10630411 0.87 ALDH1A1 (0.53) GLATDP1ALDH1A1TSHRLMNA
SCHEMBL23457949 0.83 GLA (0.57) GLATDP1ALDH1A1TSHRLMNA
SCHEMBL23458032 0.83 GLA (0.57) GLATDP1ALDH1A1TSHRLMNA
SCHEMBL17331243 0.82 MAPT (0.52) ALDH1A1LMNAMAPTCYP1A2SMN1; SMN2
SCHEMBL17331245 0.82 MAPT (0.52) ALDH1A1LMNAMAPTCYP1A2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758499-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-09-12 US disclosed
US-9758499-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-09-12 US disclosed
US-9758499-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-09-12 US disclosed
US-20170129865-A1 STEREO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT The Florida State University Research Foundation, Inc. 2017-05-11 US disclosed
US-20170129865-A1 STEREO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT The Florida State University Research Foundation, Inc. 2017-05-11 US disclosed
US-20170129865-A1 STEREO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT The Florida State University Research Foundation, Inc. 2017-05-11 US disclosed
US-9573871-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-02-21 US disclosed
US-9573871-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-02-21 US disclosed
US-9573871-B2 Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement The Florida State University Research Foundation, Inc. (US) 2017-02-21 US disclosed
US-20150361019-A1 STERO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT The Florida State University Research Foundation, Inc. 2015-12-17 US disclosed
US-20050107348-A1 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC, A DELAWARE LIMITED LIABILITY CORPORATION 2005-05-19 US disclosed
EP-1408946-A4 HISTONE DEACETYLASE INHIBITORS CIRCAGEN PHARMACEUTICAL (US) 2004-06-09 EP disclosed
EP-1408946-A2 HISTONE DEACETYLASE INHIBITORS Circagen Pharmaceutical (US) 2004-04-21 EP disclosed
US-20030125306-A1 Histone deacetylase inhibitors CIRCAGEN PHARMACEUTICAL, A DELAWARE CORPORATION 2003-07-03 US disclosed
US-20030083521-A1 Such as 5-phenyl-2,4-pentadienoylhydroxamic acid; for treating cancer, hematopoiesis, and genetic metabolic disorders (cystic fibrosis and adrenoleukodystrophy) CIRCAGEN PHARMACEUTICAL, A MARYLAND CORPORATION 2003-05-01 US disclosed
US-6495719-B2 FOR USE IN THERAPY OF CANCER, HEMATOLOGICAL DISORDERS, SUCH AS HEMATOPOIESIS, AND GENETIC RELATED METABOLIC DISORDERS, SUCH AS, CYSTIC FIBROSIS AND ADRENOLEUKODYSTROPHY CIRCAGEN PHARMACEUTICAL 2002-12-17 US disclosed
US-20020143052-A1 Histone deacetylase inhibitors ANGELA CHEN SABELLA 2002-10-03 US disclosed
US-20020143196-A1 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC 2002-10-03 US disclosed
WO-2002076941-A2 HISTONE DEACETYLASE INHIBITORS CIRCAGEN PHARMACEUTICAL (US) 2002-10-03 WO disclosed
US-20020143037-A1 Histone deacetylase inhibitors CIRCAGEN PHARMACEUTICAL, A DELAWARE CORPORATION 2002-10-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170129865-A1 STEREO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT EPRS1, DHPS, RPL14 GLA 2980/4885TDP1 4301/4885ALDH1A1 2004/4885
US-20150361019-A1 STERO CONTROLLED SYNTHESIS OF (E,Z)-DIENALS VIA TANDEM RH(I) CATALYZED PROPARGYL CLAISEN REARRANGEMENT EPRS1, DHPS, LSS GLA 3956/4885TDP1 4729/4885ALDH1A1 1870/4885
US-20030083521-A1 Such as 5-phenyl-2,4-pentadienoylhydroxamic acid; for treating cancer, hematopoiesis, and genetic metabolic disorders (cystic fibrosis and adrenoleukodystrophy) ZFX, HDAC5, ZNF277 GLA 1719/4885TDP1 4341/4885ALDH1A1 198/4885
US-20020143052-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 GLA 790/4885TDP1 4043/4885ALDH1A1 474/4885
US-20030125306-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 GLA 790/4885TDP1 4043/4885ALDH1A1 474/4885
US-20020143196-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC5 GLA 987/4885TDP1 3918/4885ALDH1A1 507/4885
US-20050107348-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 GLA 712/4885TDP1 3951/4885ALDH1A1 374/4885
US-20020143037-A1 Histone deacetylase inhibitors HDAC1, HDAC9, HDAC11 GLA 763/4885TDP1 4231/4885ALDH1A1 269/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.