SCHEMBL3600634

SCHEMBL3600634

Cc1c(F)cc(Oc2ccc(CCl)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.42
▸ HTR2A P28223 10/20 0.35
▸ SLC6A4 P31645 10/20 0.35
▸ KCNH2 Q12809 10/20 0.35
▸ F10 P00742 2/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ DAO P14920 1/20 0.32

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
SCHEMBL3542036 0.74 MEN1 (0.39) CARM1PRMT6
SCHEMBL9900458 0.73 MRGPRX4 (0.40) TTRHTR2ASLC6A4KCNH2DAO
SCHEMBL6157137 0.73 HSPB1 (0.54) TTRHTR2ASLC6A4KCNH2
SCHEMBL6158567 0.73 DAO (0.52) TTRDAO
SCHEMBL6159854 0.70 SOS1 (0.50) TTRHTR2ASLC6A4KCNH2
SCHEMBL10737281 0.70 TTR (0.44) TTRHTR2ASLC6A4KCNH2
SCHEMBL10878389 0.70 TTR (0.47) TTRHTR2ASLC6A4KCNH2DAO
SCHEMBL10878563 0.70 TTR (0.47) TTRHTR2ASLC6A4KCNH2
SCHEMBL9501898 0.70 DHFR (0.50) TTR
Hydrochloric Acid SCHEMBL10871226 0.70 TDP1 (0.49) HTR2A

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-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 — — US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 — — 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA TTR 2971/4885HTR2A 2867/4885SLC6A4 1345/4885

“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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