SCHEMBL17472589

SCHEMBL17472589

CCCc1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.51
▸ BCL2 P10415 1/20 0.46
▸ ACMSD Q8TDX5 2/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ GGPS1 O95749 1/20 0.41
▸ MGLL Q99685 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ TSHR P16473 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
SCHEMBL15238584 0.89 MCL1 (0.49) BCL2MCL1CNR1CNR2CTSS
SCHEMBL28680536 0.87 LPL (0.44) PRKCIMCL1MKNK1MKNK2CNR1
SCHEMBL24005570 0.87 CTSS (0.50) PRKCIBCL2MCL1CNR1CNR2
SCHEMBL12894971 0.85 BCL2 (0.62) PRKCIBCL2ACMSDMKNK1MKNK2
SCHEMBL24093382 0.85 BCL2 (0.53) BCL2MCL1CNR1CNR2CTSS
SCHEMBL16578698 0.85 PRKCI (0.68) PRKCIBCL2ACMSDMKNK1MKNK2
SCHEMBL196298 0.84 CTSS (0.51) BCL2CNR1CNR2CTSSCTSK
SCHEMBL30777855 0.84 CTSS (0.51) BCL2CNR1CNR2CTSSCTSK
SCHEMBL8558569 0.84 MMP3 (0.57) BCL2MCL1FGFR1
SCHEMBL4533749 0.83 AGXT (0.52) BCL2CTSSCTSKPTGS2GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676720-B2 Substituted biaryl compound UBE INDUSTRIES, LTD. (JP) 2017-06-13 — — US disclosed
US-20160213657-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE UBE INDUSTRIES, LTD. (JP) 2016-07-28 — — US disclosed
EP-3042656-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE UBE Industries, Ltd. (JP) 2016-07-13 — — EP disclosed
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2016-03-03 — — US disclosed
EP-2980075-A1 SUBSTITUTED BIARYL COMPOUND UBE Industries, Ltd. (JP) 2016-02-03 — — EP 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 (2 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-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 PRKCI 2634/4885BCL2 184/4885ACMSD 4719/4885
US-20160213657-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PULMONARY DISEASE CFTR, ADRB3, ADRB2 PRKCI 2117/4885BCL2 3108/4885ACMSD 853/4885

“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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