SCHEMBL505820

SCHEMBL505820

CC[C@H](C(=O)O)c1ccc2cc(OC)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 1.00
AKR1C2 P52895 12/20 1.00
PTGS1 P23219 3/20 1.00
AKR1C1 Q04828 2/20 1.00
PTGS2 P35354 3/20 0.65
TSHR P16473 2/20 0.65
CDC42 P60953 1/20 0.65
RAC1 P63000 1/20 0.65
CYP1A2 P05177 1/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
AKR1B10 O60218 1/20 0.54
AKR1C4 P17516 1/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL24991971 1.00 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL506301 1.00 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL3043390 1.00 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL32670176 1.00 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL32670173 1.00 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL506524 0.88 AKR1C3 (0.78) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL11157532 0.88 AKR1C3 (0.78) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL11161413 0.88 AKR1C3 (0.78) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL9560269 0.88 AKR1C3 (0.78) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL15535590 0.86 AKR1C3 (0.76) AKR1C3AKR1C2PTGS1AKR1C1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4357346-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF Coval Biopharma (Shanghai) Co., Ltd. (CN) 2024-04-24 EP disclosed
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-09-09 US disclosed
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-0081993-B1 OPTICALLY ACTIVE ALPHA-SUBSTITUTED ARYL KETONES, THEIR PREPARATION AND THEIR USE IN PREPARING ALPHA-ARYLALKANOIC ACIDS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1988-08-17 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 (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-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 AKR1C3 233/4885AKR1C2 273/4885PTGS1 1036/4885
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS F5, OR10J3, SHBG AKR1C3 756/4885AKR1C2 492/4885PTGS1 679/4885

“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.