SCHEMBL506525

SCHEMBL506525

CCC(C)(C(=O)O)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.49
AKR1C2 P52895 7/20 0.49
PTGS1 P23219 4/20 0.49
KDM4E B2RXH2 2/20 0.49
AKR1C1 Q04828 1/20 0.48
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS2 P35354 3/20 0.44
CDC42 P60953 1/20 0.44
RAC1 P63000 1/20 0.44
TSHR P16473 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
CCR9 P51686 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL11117316 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10NPC1LMNAMAPT
SCHEMBL220266 0.85 AKR1C3 (0.47) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL9333964 0.84 AKR1C3 (0.43) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL8756075 0.84 CNR2 (0.45) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL9333423 0.84 AKR1C3 (0.43) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
Hydrochloric Acid SCHEMBL220256 0.83 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL220210 0.83 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL9330830 0.83 AKR1C3 (0.42) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL28917251 0.83 CYP1A2 (0.42) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL9330626 0.83 AKR1C3 (0.42) AKR1C3AKR1C2PTGS1KDM4EAKR1C1

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
US-3975432-A Process for preparing 2-(6-methoxy-2-naphthyl)propionic acid SYNTEX CORPORATION (PM) 1976-08-17 US claimed
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-02 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
EP-0687735-B1 Method for enzymatic transesterification SUEDDEUTSCHE KALKSTICKSTOFF (DE) 1997-05-07 EP disclosed
EP-0687735-A1 Method for enzymatic transesterification SKW Trostberg Aktiengesellschaft (DE) 1995-12-20 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-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH AKR1C3 729/4885AKR1C2 821/4885PTGS1 24/4885
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 AKR1C3 233/4885AKR1C2 273/4885PTGS1 1036/4885

“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.