SCHEMBL3674241

SCHEMBL3674241

C=Cc1ccc(COCC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
GRM5 P41594 2/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSMD14 O00487 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL5066935 0.80 ALDH1A1 (0.55) ALDH1A1MAPTTDP1KMT2ATSHR
SCHEMBL5040591 0.79 CA2 (0.56) ALDH1A1HRH3LMNAKMT2A
SCHEMBL15505262 0.79 ALDH1A1 (0.39) ALDH1A1MAPTNPC1TDP1KMT2A
SCHEMBL14944204 0.78 AKR1B10 (0.42) ALDH1A1MAPTTDP1PSMD14LMNA
SCHEMBL22966052 0.78 ALB (0.47) ALDH1A1FFAR1PPARGPPARDPPARA
SCHEMBL18868404 0.77 ALDH1A1 (0.46) ALDH1A1NPC1TDP1PSMD14LMNA
SCHEMBL21068905 0.77 HRH3 (0.43) ALDH1A1HRH3PPARGPPARAGRM5
SCHEMBL27374394 0.77 ALDH1A1 (0.46) ALDH1A1PPARGMAPTNPC1TDP1
SCHEMBL14378813 0.77 TSHR (0.62) ALDH1A1TSHR
SCHEMBL8421683 0.77 FFAR1 (0.49) ALDH1A1FFAR1PPARGPPARDPPARA

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
US-20170136450-A1 POLYMER CONTAINING CARBOXYL GROUP, PREPARATION METHOD AND APPLICATION THEREOF, SUPPORTED CATALYST AND PREPARATION METHODS THEREOF AND PREPARATION METHODS OF PENEM ANTIBIOTIC INTERMEDIATE ASYMCHEM LABORATORIES (FUXIN) CO., LTD. (CN) 2017-05-18 US disclosed
US-8273802-B2 Silicones formed from an oxygen permeable component and a vinyl carbonate, carbamate ester or amide beta-substituted vinyl pyrrolidone; improve wettability of the lens without a surface treatment JOHNSON & JOHNSON VISION CARE, INC. (US) 2012-09-25 US disclosed
EP-1890171-B1 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE (US) 2010-12-22 EP disclosed
US-20080275156-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE, INC. 2008-11-06 US disclosed
EP-1800150-B1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE (US) 2008-08-06 EP disclosed
EP-1890171-A2 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents Johnson & Johnson Vision Care, Inc. (US) 2008-02-20 EP disclosed
US-7249848-B2 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE, INC. (US) 2007-07-31 US disclosed
EP-1800150-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS Johnson & Johnson Vision Care, Inc. (US) 2007-06-27 EP disclosed
WO-2006039466-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-04-13 WO disclosed
US-20060072069-A1 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE, INC. 2006-04-06 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 (1 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-20170136450-A1 POLYMER CONTAINING CARBOXYL GROUP, PREPARATION METHOD AND APPLICATION THEREOF, SUPPORTED CATALYST AND PREPARATION METHODS THEREOF AND PREPARATION METHODS OF PENEM ANTIBIOTIC INTERMEDIATE PGM2, MGAM, MRPL21 ALDH1A1 3195/4885HRH3 3226/4885FFAR1 4680/4885

“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.