SCHEMBL3604728

SCHEMBL3604728

CCc1cc(Cl)c(Oc2c(C#N)c(C)nn2C)cc1O[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
POLB P06746 2/20 0.37
HPGD P15428 3/20 0.35
RAB9A P51151 1/20 0.35
GPBAR1 Q8TDU6 5/20 0.35
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PPARG P37231 2/20 0.32
MAPT P10636 2/20 0.32
GRM2 Q14416 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3608798 0.91 POLB (0.40) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL3602704 0.87 KDM4E (0.42) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL3611040 0.83 KDM4E (0.44) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL3600965 0.83 KDM4E (0.35) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL3604914 0.81 POLB (0.42) KDM4EALDH1A1HSD17B10POLBGPBAR1
SCHEMBL3606216 0.81 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL3602358 0.80 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL3605184 0.80 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL3610789 0.80 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL3610759 0.79 POLB (0.39) POLBTSHRHTR2AHTR2CHTR2B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087639-B2 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. (US) 2006-08-08 US claimed
US-20040158079-A1 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. 2004-08-12 US claimed
US-20020165215-A1 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. 2002-11-07 US claimed
US-7855232-B2 Organoselenium compound for cancer chemoprevention LKT LABORATORIES, INC. (US) 2010-12-21 US disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
US-20080108692-A1 Organoselenium compound for cancer chemoprevention LKT LABORATORIES, INC. (US) 2008-05-08 US disclosed
US-7314929-B2 Alkylene selenocyanate or an alkylene isoselenocyanate moiety; anticancer agents LKT LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-7087639-B2 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. (US) 2006-08-08 US disclosed
US-20060079462-A1 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. (US) 2006-04-13 US disclosed
US-20040158079-A1 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. 2004-08-12 US disclosed
US-6703524-B2 ANTICANCER AGENTS LKT LABORATORIES, INC. 2004-03-09 US disclosed
US-20020165215-A1 Organoselenium compounds for cancer chemoprevention LKT LABORATORIES, INC. 2002-11-07 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 (5 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-20080108692-A1 Organoselenium compound for cancer chemoprevention SELENOI, GPX1, BRCA1 KDM4E 2282/4885ALDH1A1 166/4885HSD17B10 119/4885
US-20060079462-A1 Organoselenium compounds for cancer chemoprevention SELENOI, GPX1, BRCA1 KDM4E 2160/4885ALDH1A1 153/4885HSD17B10 139/4885
US-20020165215-A1 Organoselenium compounds for cancer chemoprevention SELENOI, GPX1, BRCA1 KDM4E 2160/4885ALDH1A1 153/4885HSD17B10 139/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R KDM4E 2049/4885ALDH1A1 365/4885HSD17B10 390/4885
US-20040158079-A1 Organoselenium compounds for cancer chemoprevention SELENOI, GPX1, BRCA1 KDM4E 2160/4885ALDH1A1 153/4885HSD17B10 139/4885

“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.