SCHEMBL1920180

SCHEMBL1920180

C/C(=C\c1ccc(F)cc1F)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
NFE2L2 Q16236 4/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
APEX1 P27695 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
DHODH Q02127 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
SCHEMBL1920181 1.00 AKR1C3 (0.44) AKR1C3NFE2L2PTGS1PTGS2POLB
SCHEMBL1920614 1.00 AKR1C3 (0.44) AKR1C3NFE2L2PTGS1PTGS2POLB
SCHEMBL1431701 0.87 AKR1C3 (0.46) AKR1C3NFE2L2CES2CES1APEX1
SCHEMBL1786006 0.84 AKR1C3 (0.43) AKR1C3APEX1DHODH
SCHEMBL28791756 0.84 AKR1C3 (0.43) AKR1C3PTGS1PTGS2APEX1DHODH
SCHEMBL1786005 0.84 AKR1C3 (0.43) AKR1C3APEX1DHODH
SCHEMBL3033598 0.83 AKR1C3 (0.42) AKR1C3PTGS2POLBMAPTAPEX1
SCHEMBL3033600 0.83 AKR1C3 (0.42) AKR1C3PTGS2POLBMAPTAPEX1
SCHEMBL7094608 0.80 CES2 (0.42) AKR1C3CES2CES1APEX1DHODH
SCHEMBL7094606 0.80 CES2 (0.42) AKR1C3CES2CES1APEX1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 EP disclosed
US-20080200731-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-7381832-B2 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-06-03 US disclosed
US-20050234264-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-10-20 US disclosed
US-6956129-B2 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-10-18 US disclosed
EP-1362025-A2 POLYHALOGEN-SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID DERIVATIVES AND A METHOD FOR PRODUCING THE SAME Bayer Aktiengesellschaft (DE) 2003-11-19 EP disclosed
EP-0910380-B1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS INC (US) 2003-08-13 EP disclosed
WO-2002066411-A2 POLYHALOGEN-SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID DERIVATIVES AND A METHOD FOR PRODUCING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2002-08-29 WO disclosed
US-20020115885-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2002-08-22 US disclosed
US-20020107248-A1 Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof OSI PHARMACEUTICALS, INC. 2002-08-08 US disclosed
US-6063818-A Substituted benzylidene indenyl formamides, acetamides and propionamides CELL PATHWAYS INC. (US) 2000-05-16 US disclosed
US-5998477-A MIXTURE OF DRUG AND CARRIER CELL PATHWAYS INC. (US) 1999-12-07 US disclosed
EP-0910380-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES Cell Pathways, Inc. (US) 1999-04-28 EP disclosed
WO-1997047303-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS, INC. (US) 1997-12-18 WO disclosed
WO-1997047295-A1 SUBSTITUTED METHOXY BENZYLIDENE INDENYL-ACETIC AND PROPIONIC ACIDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1997-12-18 WO disclosed
US-5643959-A Method for treating patients with precancerous lesions by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof CELL PATHWAYS, INC. (US) 1997-07-01 US disclosed
EP-0508586-B1 Substituted indenyl compounds FGN INC (US) 1995-05-31 EP disclosed
US-5401774-A Treatment of potentially cancerous growths UNIVERSITY OF ARIZONA (US) 1995-03-28 US disclosed
EP-0508586-A1 Substituted indenyl compounds FGN, INC. (US) 1992-10-14 EP disclosed
EP-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 EP 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-20020107248-A1 Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof VHL, IDH3A, GLI2 AKR1C3 170/4885NFE2L2 2905/4885PTGS1 1681/4885
US-20050234264-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH AKR1C3 1058/4885NFE2L2 929/4885PTGS1 2373/4885
US-20080200731-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH AKR1C3 1058/4885NFE2L2 929/4885PTGS1 2373/4885
US-20020115885-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH AKR1C3 715/4885NFE2L2 926/4885PTGS1 2443/4885

“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.