SCHEMBL2089655

SCHEMBL2089655

[CH2]c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PTPN1 P18031 1/20 0.37
NOTUM Q6P988 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
TXN P10599 1/20 0.34
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34

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
SCHEMBL27051 0.90
SCHEMBL10300262 0.83 BCL2L1 (0.55) BCL2L1BADMAOBNPC1RAB9A
SCHEMBL10337645 0.83 BCL2L1 (0.55) BCL2L1BADMAOBNPC1RAB9A
SCHEMBL12562793 0.83 BCL2L1 (0.55) BCL2L1BADMAOBNPC1RAB9A
SCHEMBL197346 0.83 BCL2L1 (0.55) BCL2L1BADMAOBNPC1RAB9A
SCHEMBL4486299 0.75 AGXT (0.47) BCL2L1BAD
SCHEMBL5543753 0.75 TAAR1 (0.63) CA9PTPN1NOTUMIDO1
SCHEMBL145806 0.75 MAOB (0.52) BCL2L1BADMAOBPTPN1IDO1
SCHEMBL5540625 0.75 HSPB1 (0.48) ALDH1A1HTT
SCHEMBL6295435 0.75 IDO1 (0.46) MAOBALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US claimed
EP-2350031-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA Ensemble Therapeutics Corporation (US) 2011-08-03 EP claimed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US claimed
WO-2010022249-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE DISCOVERY CORPORATION (US) 2010-02-25 WO claimed
US-20030158428-A1 Intermediates and processes for preparing substituted chromanol derivatives PFIZER INC. 2003-08-21 US claimed
CN-1108298-C Process for preparing substituted chromanol derivatives PFIZER (US) 2003-05-14 CN claimed
CN-1394602-A Benzoic acid substituted benzopyran fro curing atheroscleorsis PFIZER (US) 2003-02-05 CN claimed
EP-1270000-A2 Benzoic acid substituted benzopyrans for the treatment of atherosclerosis Pfizer Products Inc. (US) 2003-01-02 EP claimed
WO-2002060888-A1 PROCESSES FOR PREPARING CHROMANYLBENZOIC ACIDS PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
EP-0943339-A2 Method of preventing allograft rejection Pfizer Products Inc. (US) 1999-09-22 EP claimed
EP-0623123-B1 Benzopyran and related LTB4-antagonists PFIZER (US) 1997-04-23 EP claimed
EP-0623122-B1 Benzopyran and related LTB4-antagonists. PFIZER (US) 1997-03-05 EP claimed
US-5552435-A ANTIINFLAMMATORY AGENTS, LEUKOTRIENE B4 ANTAGONISTS PFIZER INC. (US) 1996-09-03 US claimed
US-5550152-A ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-08-27 US claimed
EP-0623122-A1 BENZOPYRAN AND RELATED LTB 4? ANTAGONISTS. PFIZER (US) 1994-11-09 EP claimed
EP-0623123-A1 BENZOPYRAN AND RELATED LTB4 ANTAGONISTS. PFIZER (US) 1994-11-09 EP claimed
CN-1075318-A Chromene and relevant leukotriene B 4Antagonist PFIZER (US) 1993-08-18 CN claimed
WO-1993015066-A1 BENZOPYRAN AND RELATED LTB4 ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO claimed
WO-1993015067-A1 BENZOPYRAN AND RELATED LTB4 ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO claimed
CN-1074681-A Chromene and relevant leukotriene B 4Antagonist PFIZER (US) 1993-07-28 CN claimed

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

For each of this compound's patents that has machine-readable text (2 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-20030158428-A1 Intermediates and processes for preparing substituted chromanol derivatives CYP1A1, CYP2F1, CYP7A1 BCL2L1 3968/4885BAD 4518/4885MAOB 556/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A BCL2L1 366/4885BAD 32/4885MAOB 3068/4885

“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.