SCHEMBL6667907

SCHEMBL6667907

COc1c(C(C)=O)ccc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 3/20 0.41
LMNA P02545 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
PTPN1 P18031 1/20 0.36
IDO1 P14902 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1919502 0.84 TDP1 (0.50) ALDH1A1HPGDCYP3A4HTTLMNA
SCHEMBL5144939 0.82 HTT (0.51) ALDH1A1MAPK1HPGDCYP3A4HTT
SCHEMBL17877001 0.82 CA1 (0.43) ALDH1A1HPGDLMNAKDM4EHSD17B10
SCHEMBL10746826 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1HPGDCYP3A4HTT
SCHEMBL17041239 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1HPGDCYP3A4HTT
SCHEMBL9720594 0.79 L3MBTL1 (0.50) ALDH1A1MAPK1HTTLMNAMAPT
SCHEMBL12556197 0.78 MAPT (0.49) ALDH1A1MAPK1HPGDCYP3A4HTT
SCHEMBL18739643 0.78 HSD17B10 (0.55) ALDH1A1MAPK1HPGDLMNAKDM4E
SCHEMBL18073572 0.77 KDM4E (0.41) ALDH1A1MAPK1HPGDCYP3A4HTT
SCHEMBL3768405 0.77 TDP1 (0.47) ALDH1A1MAPK1HTTLMNAMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096795-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES UNIGEN INC (US) 2016-04-07 US disclosed
US-9045405-B2 Compounds and methods for preparation of diarylpropanes UNIGEN, INC. (US) 2015-06-02 US disclosed
US-20140235899-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES UNIGEN, INC. (US) 2014-08-21 US disclosed
US-8586799-B2 Compounds and methods for preparation of diarylpropanes UNIGEN, INC. (US) 2013-11-19 US disclosed
US-20120245393-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES UNIGEN, INC. (US) 2012-09-27 US disclosed
EP-1133467-B1 ION CHANNEL MODULATING AGENTS NEUROSEARCH AS (DK) 2004-09-15 EP disclosed
US-6458846-B1 FOR USE IN THERAPY OF ASTHMA, CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE AND RHINORRHEA, CONVULSIONS, VASCULAR SPASMS, CORONARY ARTERY SPASMS, RENAL DISORDERS, POLYCYSTIC KIDNEY DISEASE, BLADDER SPASMS, ETC. NEUROSEARCH A/S (DK) 2002-10-01 US disclosed
US-20020058700-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-05-16 US disclosed
EP-1133467-A1 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-09-19 EP disclosed
WO-2000034228-A1 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 WO disclosed
US-5403823-A Fragrant musk-like aroma UNION CAMP CORPORATION (US) 1995-04-04 US disclosed
WO-1995000113-A1 NOVEL FORMATE ESTER INDANE COMPOUNDS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5292720-A Formate ester indane compounds UNION CAMP CORPORATION (US) 1994-03-08 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 (4 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-20160096795-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES DDT, QDPR, NPY1R ALDH1A1 2064/4885MAPK1 4107/4885HPGD 692/4885
US-20120245393-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES DDT, QDPR, NPY1R ALDH1A1 2064/4885MAPK1 4107/4885HPGD 692/4885
US-20140235899-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES DDT, QDPR, NPY1R ALDH1A1 2064/4885MAPK1 4107/4885HPGD 692/4885
US-20020058700-A1 Ion channel modulating agents KCNN4, KCNN1, KCNJ2 ALDH1A1 3163/4885MAPK1 762/4885HPGD 678/4885

“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.