SCHEMBL12207807

SCHEMBL12207807

Cc1cc(CC(C)(C)C)ccc1OCC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ ESR1 P03372 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ VDR P11473 5/20 0.37
▸ AAK1 Q2M2I8 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL9917308 0.81 CRHBP (0.47) ESR1KDM4E
SCHEMBL12232284 0.81 CA2 (0.48) KDM4EPDE4B
SCHEMBL12207793 0.81 ESR1 (0.37) ESR1AAK1
SCHEMBL25986451 0.80 ESR1 (0.39) FFAR4FFAR1ESR1KDM4E
SCHEMBL11959661 0.79 L3MBTL1 (0.49) KDM4EVDRCYP2C9MRGPRX4
SCHEMBL2625771 0.76 SSTR4 (0.49) KDM4ECYP2C9MRGPRX4
SCHEMBL10645049 0.76 KDM4E (0.39) ESR1KDM4EVDRAAK1HDAC3
SCHEMBL26397831 0.74 PTGS1 (0.46) ESR1KDM4E
SCHEMBL11951589 0.74 ACHE (0.43) KDM4EVDRAAK1
SCHEMBL12207798 0.73 ALDH1A1 (0.48) KDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170232017-A1 TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2017-08-17 — — US disclosed
US-20160158253-A1 TREATMENT OF PANCREATIC CANCER WITH A COMBINATION OF A HYPOXIA-ACTIVATED PRODRUG AND A TAXANE MERCK PATENT GMBH (DE) 2016-06-09 — — US disclosed
US-20160045522-A1 Treatment of Cancer THRESHOLD PHARMACEUTICALS, INC. (US) 2016-02-18 — — US disclosed
US-9254299-B2 Administration of hypoxia activated prodrugs in combination with Chk1 inhibitors for treating cancer THRESHOLD PHARMACEUTICALS, INC. (US) 2016-02-09 — — US disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 — — US disclosed
US-20150005263-A1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS IN COMBINATION WITH CHK1 INHIBITORS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. 2015-01-01 — — US disclosed
US-20150005262-A1 HYPOXIA ACTIVATED PRODRUGS AND MTOR INHIBITORS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. 2015-01-01 — — US disclosed
US-20140171389-A1 METHODS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 — — US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 — — US disclosed
US-20140072624-A1 UNIT DOSE FORM FOR ORAL ADMINISTRATION THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 — — US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 — — US disclosed
US-20130296273-A1 TREATMENT OF BLOOD CANCER THRESHOLD PHARMACEUTICALS, INC. 2013-11-07 — — US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 — — US disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 — — 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 (12 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-20150005263-A1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS IN COMBINATION WITH CHK1 INHIBITORS FOR TREATING CANCER CHEK1, CHEK2, HIF1AN FFAR4 4230/4885FFAR1 3703/4885ESR1 2830/4885
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP FFAR4 987/4885FFAR1 1325/4885ESR1 1579/4885
US-20160045522-A1 Treatment of Cancer HIF1AN, HIF1A, EGLN3 FFAR4 1224/4885FFAR1 1816/4885ESR1 3160/4885
US-20160158253-A1 TREATMENT OF PANCREATIC CANCER WITH A COMBINATION OF A HYPOXIA-ACTIVATED PRODRUG AND A TAXANE HIF1AN, HIF1A, RNASE1 FFAR4 896/4885FFAR1 847/4885ESR1 3930/4885
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP FFAR4 982/4885FFAR1 1327/4885ESR1 1611/4885
US-20150005262-A1 HYPOXIA ACTIVATED PRODRUGS AND MTOR INHIBITORS FOR TREATING CANCER HIF1AN, HIF1A, MTOR FFAR4 980/4885FFAR1 1062/4885ESR1 1058/4885
US-20140171389-A1 METHODS FOR TREATING CANCER HIF1AN, HYOU1, HIF1A FFAR4 4045/4885FFAR1 3198/4885ESR1 2656/4885
US-20140072624-A1 UNIT DOSE FORM FOR ORAL ADMINISTRATION HIF1AN, HIF1A, HYOU1 FFAR4 985/4885FFAR1 1005/4885ESR1 2943/4885
US-20170232017-A1 TREATMENT OF CANCER HIF1AN, HIF1A, EGLN3 FFAR4 1224/4885FFAR1 1816/4885ESR1 3160/4885
US-20130296273-A1 TREATMENT OF BLOOD CANCER HIF1AN, HIF1A, MCL1 FFAR4 1709/4885FFAR1 2192/4885ESR1 1995/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP FFAR4 982/4885FFAR1 1327/4885ESR1 1611/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP FFAR4 982/4885FFAR1 1327/4885ESR1 1611/4885

“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.

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