SCHEMBL14020501

SCHEMBL14020501

CC(C)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.47
▸ SLC6A4 P31645 8/20 0.47
▸ HTR2A P28223 7/20 0.47
▸ KCNH2 Q12809 7/20 0.47
▸ PTGS1 P23219 1/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ FDFT1 P37268 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ RORC P51449 1/20 0.40

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
SCHEMBL17050939 0.85 HSP90AA1 (0.53) KMOHSP90AA1SLC6A4HTR2AKCNH2
SCHEMBL8636829 0.85 PTGS1 (0.54) PTGS1KDM4ETSHRMEN1KMT2A
SCHEMBL123764 0.85 PTGS1 (0.58) PTGS1KDM4ETSHRMEN1KMT2A
SCHEMBL11063307 0.85 PTGS1 (0.56) PTGS1KDM4ETSHRMEN1KMT2A
SCHEMBL30345552 0.85 PTGS1 (0.56) PTGS1KDM4ETSHRMEN1KMT2A
SCHEMBL14020500 0.84 PTGS1 (0.50) PTGS1KDM4ETSHRMEN1KMT2A
SCHEMBL15849013 0.83 PTGS1 (0.55) PTGS1KDM4ETSHRMEN1KMT2A
SCHEMBL24074781 0.82 PTGS1 (0.47) SLC6A4HTR2AKCNH2PTGS1KDM4E
SCHEMBL14020505 0.81 PTGS1 (0.46) PTGS1KDM4ETSHRFDFT1MEN1
SCHEMBL765113 0.80 PTGS1 (0.66) PTGS1KDM4ETSHRMEN1KMT2A

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-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 — — US disclosed
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 — — 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-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR MRGPRX2, MRGPRX4, MRGPRX1 KMO 3513/4885HSP90AA1 811/4885SLC6A4 2677/4885

“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.

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