SCHEMBL18012114

SCHEMBL18012114

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ RXFP1 Q9HBX9 3/20 0.56
▸ CYP2C19 P33261 1/20 0.55
▸ TP53 P04637 3/20 0.53
▸ CYP2C9 P11712 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL16540661 1.00 MAPT (0.59) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL18012113 0.90 MAPT (0.62) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL16540942 0.90 MAPT (0.62) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL17997082 0.90 MAPT (0.56) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL16540847 0.90 MAPT (0.50) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL18012109 0.88 MAPT (0.58) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL16540769 0.88 KDM4E (0.55) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL16541002 0.82 MAPT (0.59) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL17997087 0.81 MAPT (0.57) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL16541127 0.81 MAPT (0.60) MAPTKDM4EMEN1NPC1ALDH1A1

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 2789/4885MEN1 4734/4885

“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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