SCHEMBL7683734

SCHEMBL7683734

CCOc1ccc(C(=O)c2cc3c(n2C)CC(=O)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TSHR P16473 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.40
PARP10 Q53GL7 1/20 0.40
ALOX15 P16050 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL7678182 0.87 ALDH1A1 (0.43) HPGDALDH1A1LMNAMAPTHSD17B10
SCHEMBL7674512 0.82 MAPK1 (0.46) ALDH1A1LMNAL3MBTL1MAPTKMT2A
SCHEMBL7676981 0.82 CA12 (0.34) HPGDALDH1A1LMNAL3MBTL1MAPT
SCHEMBL7681406 0.82 NPC1 (0.39) HPGDALDH1A1LMNAL3MBTL1TSHR
SCHEMBL7676913 0.82 HTT (0.46) HPGDALDH1A1LMNATP53MAPT
SCHEMBL7678702 0.81 MAOA (0.41) HPGDALDH1A1LMNAL3MBTL1MAPT
SCHEMBL7676820 0.80 HRH3 (0.37) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL8045716 0.80 MAPT (0.44) HPGDALDH1A1L3MBTL1TSHRTP53
SCHEMBL7676782 0.78 ALDH1A1 (0.40) HPGDALDH1A1LMNATP53MAPT
SCHEMBL7680773 0.78 TSHR (0.49) HPGDALDH1A1L3MBTL1TSHRTP53

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 3 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-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 363/4885ALDH1A1 208/4885LMNA 2230/4885

“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.