SCHEMBL407744

SCHEMBL407744

COc1cc2ccccc2cc1C(C)=O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
HPGD P15428 2/20 0.73
KDM4E B2RXH2 2/20 0.73
NPC1 O15118 7/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
RAB9A P51151 6/20 0.60
POLB P06746 4/20 0.60
AHR P35869 2/20 0.60
CA9 Q16790 1/20 0.57
CASP3 P42574 1/20 0.55
ATM Q13315 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL31605176 1.00 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL12325019 0.88 CA9 (0.59) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL617928 0.85 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL20630210 0.84 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ENPC1KMT2A
Zinc Ion SCHEMBL9561820 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPC1KMT2A
Hydrochloric Acid SCHEMBL7287472 0.83 ALDH1A1 (0.96) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL978576 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL9561825 0.83 ALDH1A1 (0.96) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL620668 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL30412939 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285787-B1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2015-08-26 EP disclosed
US-8404730-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-03-26 US disclosed
US-20120046312-A1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-02-23 US disclosed
US-8101642-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-01-24 US disclosed
EP-2285787-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK Holdings Co., Ltd. (KR) 2011-02-23 EP disclosed
US-20100311789-A1 3-Substituted Propanamine Compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2010-12-09 US disclosed
WO-2009148290-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2009-12-10 WO disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 US disclosed
WO-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 WO 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 (3 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-20120046312-A1 3-SUBSTITUTED PROPANAMINE COMPOUNDS ADRB3, PNMT, OPRK1 ALDH1A1 177/4885HPGD 793/4885KDM4E 3936/4885
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 ALDH1A1 13/4885HPGD 2265/4885KDM4E 4421/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 ALDH1A1 177/4885HPGD 793/4885KDM4E 3936/4885

“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.