SCHEMBL16658642

SCHEMBL16658642

CC1CCN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.56
HIF1A Q16665 2/20 0.56
HPGD P15428 5/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 2/20 0.49
ERAP1 Q9NZ08 5/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.48
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
PABPC1 P11940 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL16658645 0.90 KDM4E (0.68) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16623063 0.89 KDM4E (0.46) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16658644 0.89 ALDH1A1 (0.70) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16658653 0.89 KDM4E (0.55) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16658646 0.88 HSD17B10 (0.60) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16623049 0.88 KDM4E (0.58) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16623036 0.88 KDM4E (0.45) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16623044 0.87 KDM4E (0.44) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16623026 0.86 KDM4E (0.49) KDM4EALDH1A1HIF1AHPGDCASP1
SCHEMBL16623038 0.78 ALDH1A1 (0.52) KDM4EALDH1A1HIF1AHPGDCASP1

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-9630953-B2 Small compounds targeting TACC3 JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2017-04-25 US disclosed
US-9630953-B2 Small compounds targeting TACC3 JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2017-04-25 US disclosed
US-20150111888-A1 SMALL COMPOUNDS TARGETING TACC3 JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2015-04-23 US disclosed
US-20150111888-A1 SMALL COMPOUNDS TARGETING TACC3 JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2015-04-23 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-20150111888-A1 SMALL COMPOUNDS TARGETING TACC3 TACR3, TACR2, SLC43A1 KDM4E 3171/4885ALDH1A1 2396/4885HIF1A 3356/4885

“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.