SCHEMBL18012131

SCHEMBL18012131

CCOC(=O)[C@@H](CC)c1c(C(=O)c2ccccc2)oc2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 5/20 0.47
▸ MCL1 Q07820 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MGAM O43451 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RAD52 P43351 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL16540787 0.92 MAPT (0.49) MAPTKDM4EMCL1MAOBSMN1; SMN2
SCHEMBL18012115 0.89 MAPT (0.43) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL18012133 0.88 MAPT (0.50) MAPTKDM4EMCL1MAOBSMN1; SMN2
SCHEMBL16541114 0.88 MAPT (0.50) MAPTKDM4EMCL1MAOBSMN1; SMN2
SCHEMBL16540439 0.82 MAPT (0.45) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16540811 0.81 MAPT (0.46) MAPTKDM4EMCL1SMN1; SMN2NPC1
SCHEMBL18012132 0.79 KDM4E (0.47) MAPTKDM4EMCL1SMN1; SMN2NPC1
SCHEMBL16540660 0.79 KDM4E (0.47) MAPTKDM4EMCL1SMN1; SMN2NPC1
SCHEMBL19847107 0.79 MAPT (0.60) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16540970 0.78 ALDH1A1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 — — US 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 2789/4885MCL1 2167/4885

“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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