SCHEMBL657769

SCHEMBL657769

C=C(C)Cc1ccc(C)c(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.33
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NQO1 P15559 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL659662 0.81 SHBG (0.33) TYR
SCHEMBL10863076 0.80 SMN1; SMN2 (0.37) TYRHTR1DHTR1BPOLBRECQL
SCHEMBL12227232 0.77 GABRA1 (0.30) —
SCHEMBL11576459 0.76 HTR1D (0.40) TYRHTR1DHTR1BTRPA1ATM
SCHEMBL5785094 0.76 ALDH1A1 (0.50) TRPA1ATMALDH1A1
SCHEMBL1721102 0.76 CA1 (0.30) —
SCHEMBL11061615 0.74 GABRA1 (0.52) RECQLTDP1ALDH1A1
SCHEMBL9517475 0.74 GABRA1 (0.52) TYRHTR1DHTR1BTRPA1ATM
SCHEMBL15655659 0.72 PON1 (0.40) TYRHTR1DHTR1BTRPA1ATM
SCHEMBL1722086 0.72 TRPA1 (0.35) HTR1DHTR1BTRPA1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 — — US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 — — EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 — — EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 — — US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 — — US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 — — US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 — — EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 — — US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 — — 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 (4 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 TYR 262/4885HTR1D 224/4885HTR1B 107/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 TYR 262/4885HTR1D 224/4885HTR1B 107/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 TYR 262/4885HTR1D 224/4885HTR1B 107/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 TYR 358/4885HTR1D 1275/4885HTR1B 1211/4885

“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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