SCHEMBL7085508

SCHEMBL7085508

O=C1C=CC[C@H](CCc2cccc(F)c2)O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA4 P22748 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA12 O43570 2/20 0.43
CA5A P35218 2/20 0.43
CA9 Q16790 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
DAO P14920 3/20 0.41
CA3 P07451 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A3 Q01959 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL7086293 1.00 CA1 (0.43) CA1CA4CA14CA12CA5A
SCHEMBL7081405 0.83 CYP3A4 (0.54) CA1CA4CA14CA12CA5A
SCHEMBL7081400 0.83 CYP3A4 (0.54) CA1CA4CA14CA12CA5A
SCHEMBL18214413 0.75 CYP3A4 (0.60) CA1CA4CA14CA12CA5A
SCHEMBL5672665 0.74 CYP3A4 (0.73) DAOTAAR1MAOACYP3A4
SCHEMBL5672669 0.74 CYP3A4 (0.73) DAOTAAR1MAOACYP3A4
SCHEMBL5672688 0.73 DAO (0.41) DAOTAAR1MAOAMAOBCYP3A4
SCHEMBL7086021 0.69 HTR2A (0.42) CA1CA4CA14CA12CA5A
SCHEMBL2401895 0.68 PDCD4 (0.49) CA1CA4CA14CA12CA5A
SCHEMBL14496504 0.68 PDCD4 (0.49) CA1CA4CA14CA12CA5A

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-20030236302-A1 Synthetic derivatives SYNTA PHARMACEUTICALS CORP. 2003-12-25 US disclosed
WO-2003072103-A1 SYNTHETIC DERIVATIVES KAVA PHARMACEUTICALS, INC. (US) 2003-09-04 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-20030236302-A1 Synthetic derivatives CBR1, CBR3, REL CA1 3659/4885CA4 1186/4885CA14 3923/4885

“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.