SCHEMBL4248712

SCHEMBL4248712

COc1cc(N2CCN(CC(F)(F)F)CC2)c2oc(C(=O)O)cc(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 12/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GPR55 Q9Y2T6 3/20 0.39
HTR1B P28222 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCC1 P33527 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
SCHEMBL4249890 0.89 GPR35 (0.48) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4985501 0.85 GPR35 (0.52) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4254106 0.85 GPR35 (0.48) GPR35KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4982799 0.84 GPR35 (0.51) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4988768 0.81 GPR35 (0.48) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4996718 0.81 GPR35 (0.50) GPR35KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4988853 0.81 GPR35 (0.47) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4247593 0.77 GPR35 (0.49) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4982825 0.76 GPR35 (0.47) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4248701 0.75 GPR35 (0.48) GPR35KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 US disclosed
EP-1945624-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS Astra Zeneca AB (SE) 2008-07-23 EP disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 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 (3 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 GPR35 1756/4885KDM4E 2353/4885ALDH1A1 1546/4885
US-20090170851-A1 Chroman Compounds CYP3A43, CYP2C9, CYP2C8 GPR35 1814/4885KDM4E 2050/4885ALDH1A1 1638/4885
US-20070185107-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 GPR35 1814/4885KDM4E 2050/4885ALDH1A1 1638/4885

“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.