SCHEMBL6654656

SCHEMBL6654656

CCCCCCCCCNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.55
▸ PLA2G2D Q9UNK4 1/20 0.53
▸ ZDHHC2 Q9UIJ5 1/20 0.52
▸ HDAC8 Q9BY41 2/20 0.49
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ HTR1A P08908 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44

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
SCHEMBL6654658 1.00 EGFR (0.55) EGFRPLA2G2DZDHHC2HDAC8HTT
SCHEMBL6659156 0.80 EGFR (0.56) EGFRZDHHC2HTTPTGS2PTGS1
SCHEMBL6659147 0.80 EGFR (0.56) EGFRZDHHC2HTTPTGS2PTGS1
SCHEMBL4839224 0.80 ALDH1A1 (0.61) PLA2G2DHDAC8MEN1ALDH1A1KMT2A
SCHEMBL4839242 0.80 ALDH1A1 (0.61) PLA2G2DHDAC8MEN1ALDH1A1KMT2A
SCHEMBL5524486 0.79 HDAC8 (0.58) PLA2G2DHDAC8MEN1ALDH1A1KMT2A
SCHEMBL5524484 0.79 HDAC8 (0.58) PLA2G2DHDAC8MEN1ALDH1A1KMT2A
SCHEMBL23344644 0.78 APP (0.55) EGFRZDHHC2HDAC8PTGS2PTGS1
SCHEMBL1549366 0.78 MEN1 (0.56) PLA2G2DHDAC8L3MBTL1MEN1ALDH1A1
SCHEMBL1549368 0.78 MEN1 (0.56) PLA2G2DHDAC8L3MBTL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254241-A1 Enzyme inhibitor; cognition activators KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-16 — — US disclosed
EP-1431280-A1 ARYL SULFAMATE DERIVATIVES Kyowa Hakko Kogyo Co., Ltd (JP) 2004-06-23 — — EP 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-20040254241-A1 Enzyme inhibitor; cognition activators SULT1A1, STS, CYP26A1 EGFR 2088/4885PLA2G2D 4129/4885ZDHHC2 1832/4885

“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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