SCHEMBL22946219

SCHEMBL22946219

CCc1cc(OC)c(C2CC2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.55
▸ HTR2A P28223 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CNR2 P34972 8/20 0.38
▸ CNR1 P21554 5/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL28848580 0.84 HTR1A (0.39) PTGS2HTR2ASIGMAR1ABCB1CYP3A4
SCHEMBL28848582 0.79 TNKS2 (0.45) HTR2ASIGMAR1CNR2CNR1ABCB1
SCHEMBL30949892 0.79 HTR2A (0.59) HTR2ACYP3A4KDM4EHTR1ACYP2D6
SCHEMBL24371605 0.77 PTGS2 (0.47) PTGS2HTR2ASIGMAR1ALDH1A1CA2
SCHEMBL30038814 0.77 HTR2A (0.44) HTR2ACNR2CNR1ABCB1ALDH1A1
SCHEMBL17087121 0.77 ACHE (0.50) ABCB1CYP3A4MAPTALDH1A1KDM4E
SCHEMBL26684636 0.76 CNR2 (0.45) HTR2ACNR2CNR1ABCB1ALDH1A1
SCHEMBL26684865 0.76 HTR2A (0.43) HTR2ACNR2CNR1ABCB1ALDH1A1
SCHEMBL26684590 0.74 CNR2 (0.46) HTR2ACNR2CNR1ABCB1ALDH1A1
SCHEMBL26684938 0.74 CNR2 (0.43) HTR2ACNR2CNR1ABCB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 — — US disclosed
WO-2021020429-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR 大正製薬株式会社 2021-02-04 — — WO 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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 PTGS2 1554/4885HTR2A 672/4885SIGMAR1 1282/4885

“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.

Send feedback