SCHEMBL16540787

SCHEMBL16540787

CCC(C(=O)OC)c1c(C(=O)c2ccccc2)oc2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL18012131 0.92 MAPT (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL16540439 0.88 MAPT (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL19847107 0.87 MAPT (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL16540970 0.87 ALDH1A1 (0.50) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL18012132 0.86 KDM4E (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL16540660 0.86 KDM4E (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL16541114 0.82 MAPT (0.50) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL18012133 0.82 MAPT (0.50) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL16540811 0.81 MAPT (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL18012115 0.81 MAPT (0.43) MAPTKDM4ESMN1; SMN2NPC1RAB9A

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 MAPT 4537/4885KDM4E 2789/4885SMN1; SMN2 3909/4885

“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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