SCHEMBL658050

SCHEMBL658050

Cc1cc(C)c(C)c(OC(C)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 9/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14157460 0.84 TSHR (0.58) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL15122376 0.81 TDP1 (0.55) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL14989117 0.81 TDP1 (0.55) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL14988796 0.81 TDP1 (0.55) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL7277166 0.80 TDP1 (0.59) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL7392692 0.80 TSHR (0.71) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL10749852 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL1927200 0.77 TDP1 (0.70) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL14157521 0.76 TSHR (0.61) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3603189 0.75 MEN1 (0.43) TSHRHTR2AHTR2CHTR2BALDH1A1

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 TSHR 2302/4885HTR2A 97/4885HTR2C 10/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 TSHR 2302/4885HTR2A 97/4885HTR2C 10/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 TSHR 2302/4885HTR2A 97/4885HTR2C 10/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 TSHR 2018/4885HTR2A 984/4885HTR2C 318/4885

“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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