SCHEMBL3031702

SCHEMBL3031702

C[C](C)Cc1ccc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
ALOX5 P09917 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
XBP1 P17861 1/20 0.39
PTBP1 P26599 1/20 0.39
RAB9A P51151 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
SMAD3 P84022 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28214173 0.86 DPP4 (0.47) PTGS1MAPTSMN1; SMN2LMNAHTT
SCHEMBL27820621 0.82 PTGDR2 (0.45) PTGS1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2096544 0.80 PDCD1 (0.47) PTGS1ALOX5CYP1A2MAPTSMN1; SMN2
SCHEMBL28173176 0.80 DPP4 (0.54) PTGS1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL5595171 0.79 SMN1; SMN2 (0.40) PTGS1ALOX5CYP1A2MAPTSMN1; SMN2
SCHEMBL18427880 0.76 PTGS1 (0.68) PTGS1LMNAHTTABCC4GAA
SCHEMBL2096540 0.75 MEN1 (0.47) PTGS1ALOX5MAPTSMN1; SMN2LMNA
SCHEMBL2091701 0.74 EGFR (0.42) PTGS1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3031707 0.74 KMT2A (0.43) PTGS1CYP1A2MAPTSMN1; SMN2LMNA
SCHEMBL27625646 0.73 CYP11B1 (0.46) PTGS1ALOX5MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (5 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 PTGS1 2343/4885ALOX5 1093/4885CYP1A2 79/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 PTGS1 1055/4885ALOX5 1104/4885CYP1A2 3133/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 PTGS1 824/4885ALOX5 304/4885CYP1A2 2665/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 PTGS1 298/4885ALOX5 1678/4885CYP1A2 979/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 PTGS1 711/4885ALOX5 796/4885CYP1A2 100/4885

“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.