SCHEMBL7675490

SCHEMBL7675490

CCC1C(=O)Oc2cc(C(=O)c3ccc(C)c(Cl)c3)n(C)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.35
CASP3 P42574 2/20 0.35
RAB9A P51151 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AGTR1 P30556 3/20 0.32
GAA P10253 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32

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
SCHEMBL7675675 0.86 HTT (0.42) HPGDNPC1RAB9APOLBMAPT
SCHEMBL7684736 0.82 ATM (0.34) HPGDNPC1RAB9APOLBMAPT
SCHEMBL7680776 0.76 ALDH1A1 (0.39) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL7678670 0.76 CXCL8 (0.36) HPGDNPC1RAB9APOLBMAPT
SCHEMBL7678438 0.73 HPGD (0.42) HPGDNPC1CASP3RAB9ASENP7
SCHEMBL7678095 0.72 ALDH1A1 (0.40) HPGDRAB9APOLBMAPTMEN1
SCHEMBL7678489 0.72 HTT (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7678067 0.70 CXCL8 (0.41) HPGDNPC1RAB9APOLBMAPT
SCHEMBL7678263 0.69 TSHR (0.42) MAPTMEN1KMT2AALDH1A1HRH3
SCHEMBL7676766 0.68 ALDH1A1 (0.41) HPGDNPC1CASP3RAB9ASENP7

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 4 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

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 HPGD 363/4885NPC1 1644/4885CASP3 822/4885

“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.