SCHEMBL6629474

SCHEMBL6629474

COC(=O)CNc1ccc(OCc2cc(C)cc(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.62
PARP10 Q53GL7 2/20 0.57
MAPT P10636 5/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAOB P27338 2/20 0.45
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
GPR55 Q9Y2T6 1/20 0.41
TSPO P30536 1/20 0.41

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
SCHEMBL6630458 0.84 RAB9A (0.65) MAPTNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL28565295 0.79 HTT (0.60) MAPTKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL9796041 0.78 MAPT (0.50) HDAC8MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9780021 0.78 KMT2A (0.57) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9779998 0.76 MAPT (0.59) MAPTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10541037 0.76 KMT2A (0.56) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL5955117 0.75 ALDH1A1 (0.64) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5122021 0.75 MAPT (0.57) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1713162 0.74 CA1 (0.51) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6629282 0.74 PARP10 (0.64) HDAC8PARP10MAPTNPC1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 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-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 HDAC8 270/4885PARP10 2014/4885MAPT 4289/4885

“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.