SCHEMBL6402848

SCHEMBL6402848

COc1cccc2c3c(c(=O)[nH]c12)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
NQO2 P16083 1/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MCL1 Q07820 2/20 0.49
LMNA P02545 1/20 0.49
BLM P54132 1/20 0.49
PARP1 P09874 2/20 0.48
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.45
TNKS O95271 2/20 0.43

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
SCHEMBL11754582 0.81 GFER (0.54) HPGDNQO2ALDH1A1KDM4EMEN1
SCHEMBL28492888 0.79 KDM4E (0.63) HPGDNQO2ALDH1A1KDM4EMEN1
SCHEMBL8484334 0.77 HPGD (0.66) HPGDNQO2ALDH1A1KDM4EMEN1
SCHEMBL6405719 0.76 KDM4E (0.44) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL12764968 0.76 GFER (0.49) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL9685709 0.74 KDM4E (0.46) HPGDNQO2ALDH1A1KDM4ETNKS
SCHEMBL12764963 0.74 GFER (0.47) HPGDALDH1A1KDM4EPOLBMAPT
SCHEMBL6642367 0.73 HSD17B10 (0.44) KDM4EMEN1MAPTKMT2APARP1
SCHEMBL6576708 0.73 ALDH1A1 (0.56) HPGDNQO2ALDH1A1KDM4EMEN1
SCHEMBL8484042 0.73 KDM4E (0.52) HPGDALDH1A1KDM4E

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-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 US disclosed
EP-1507763-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003097607-A1 TETRAHYDROISOQUINOLINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 HPGD 326/4885NQO2 34/4885ALDH1A1 420/4885

“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.