SCHEMBL18012113

SCHEMBL18012113

COC(=O)[C@@H](C)c1c(C(=O)c2ccc(OC)cc2)oc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.62
▸ KDM4E B2RXH2 5/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ TP53 P04637 3/20 0.58
▸ RXFP1 Q9HBX9 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYP2C9 P11712 3/20 0.52
▸ LMNA P02545 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL16540942 1.00 MAPT (0.62) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL16547881 0.90 ALDH1A1 (0.53) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL16541079 0.90 ALDH1A1 (0.53) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL18012114 0.90 MAPT (0.59) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL16540661 0.90 MAPT (0.59) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL17997087 0.89 MAPT (0.57) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL16541099 0.88 KDM4E (0.60) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL16541002 0.85 MAPT (0.59) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL16540771 0.84 MAPT (0.52) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL16541127 0.81 MAPT (0.60) MAPTKDM4EALDH1A1NPC1RAB9A

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 2789/4885ALDH1A1 253/4885

“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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