SCHEMBL7682815

SCHEMBL7682815

CCn1c(C(=O)c2ccc(Cl)cc2)ccc1C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SRD5A2 P31213 1/20 0.40
POLB P06746 1/20 0.39
CXCR3 P49682 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PTGS2 P35354 3/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ABCB11 O95342 1/20 0.36

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
SCHEMBL7678297 0.87 ALDH1A1 (0.45) HPGDALDH1A1RAB9APTGS2MAPK1
SCHEMBL11812867 0.87 PSEN1 (0.44) HTTALDH1A1SRD5A2POLBHRH3
SCHEMBL11811400 0.85 HRH3 (0.46) HTTSRD5A2POLBHRH3PTGS2
SCHEMBL7674448 0.85 CNR2 (0.46) CYP2C9TSHR
SCHEMBL7678015 0.81 HTT (0.48) HTTHPGDSRD5A2HRH3PTGS2
SCHEMBL11810612 0.79 HTT (0.41) HTTSRD5A2HRH3PTGS2ABCB11
SCHEMBL11817549 0.77 HRH3 (0.46) HTTSRD5A2HRH3PTGS2FNTA
SCHEMBL7678055 0.76 PTGS2 (0.54) HTTHPGDALDH1A1SRD5A2CXCR3
SCHEMBL11814670 0.74 HTT (0.47) HTTHPGDSRD5A2HRH3PTGS2
SCHEMBL7684815 0.73 MAPK1 (0.48) HPGDNPC1ALDH1A1RAB9ASRD5A2

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
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A HTT 2603/4885HPGD 363/4885NPC1 1644/4885

“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.