SCHEMBL16540970

SCHEMBL16540970

CCC(C(=O)OC)c1c(C(=O)c2ccccc2)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPT P10636 13/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 2/20 0.48
▸ THRB P10828 2/20 0.47
▸ RXFP1 Q9HBX9 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ NQO1 P15559 1/20 0.43

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
SCHEMBL17997083 0.92 MAPT (0.54) ALDH1A1MAPTNPC1KMT2ATP53
SCHEMBL16540678 0.91 MAPK1 (0.54) ALDH1A1TSHRMAPTNPC1KMT2A
SCHEMBL16541002 0.91 MAPT (0.59) ALDH1A1MAPTNPC1KMT2ATP53
SCHEMBL16540439 0.88 MAPT (0.45) ALDH1A1TSHRMAPTNPC1KMT2A
SCHEMBL19847107 0.87 MAPT (0.60) ALDH1A1TSHRMAPTNPC1KMT2A
SCHEMBL16540787 0.87 MAPT (0.49) ALDH1A1TSHRMAPTNPC1KMT2A
SCHEMBL16547881 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMAPTNPC1KMT2A
SCHEMBL16541079 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMAPTNPC1KMT2A
SCHEMBL18012109 0.83 MAPT (0.58) ALDH1A1MAPTNPC1KMT2ATP53
SCHEMBL16540729 0.80 PTPN1 (0.48) ALDH1A1TSHRMAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890132-B2 Process for the preparation of anti-inflammatory aroylbenzofuran compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-02-13 — — US claimed
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 — — US claimed
WO-2015029062-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RSEARCH (IN) 2015-03-05 — — WO claimed
US-9890132-B2 Process for the preparation of anti-inflammatory aroylbenzofuran compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-02-13 — — US disclosed
US-9890132-B2 Process for the preparation of anti-inflammatory aroylbenzofuran compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-02-13 — — US disclosed
US-9890132-B2 Process for the preparation of anti-inflammatory aroylbenzofuran compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-02-13 — — US disclosed
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 — — US disclosed
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 — — US disclosed
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 — — US disclosed
WO-2015029062-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RSEARCH (IN) 2015-03-05 — — WO disclosed
WO-2015029062-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RSEARCH (IN) 2015-03-05 — — 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-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS LITAF, IL1B, CYP2F1 ALDH1A1 253/4885TSHR 3947/4885MAPT 4537/4885

“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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