SCHEMBL1772000

SCHEMBL1772000

CCC(C)c1ccc(N)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
ALDH1A1 P00352 4/20 0.43
USP2 O75604 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CASP1 P29466 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
RORC P51449 1/20 0.38
AR P10275 1/20 0.37

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
SCHEMBL249358 0.83 ALDH1A1 (0.43) GAAALDH1A1USP2PKMHPGD
SCHEMBL93075 0.82 ALDH1A1 (0.65) GAAALDH1A1USP2PKMHPGD
SCHEMBL10882492 0.82 ALDH1A1 (0.46) GAAALDH1A1USP2PKMHPGD
SCHEMBL29588402 0.82 ALDH1A1 (0.65) GAAALDH1A1USP2PKMHPGD
SCHEMBL15919027 0.82 ALOX15 (0.46) GAAALDH1A1USP2PKMHPGD
SCHEMBL159093 0.81 CASP1 (0.43) GAAALDH1A1USP2PKMHPGD
SCHEMBL111964 0.81 CASP1 (0.43) GAAALDH1A1USP2PKMHPGD
SCHEMBL20149147 0.80 TSHR (0.38) GAAALDH1A1USP2PKMHPGD
SCHEMBL7609773 0.80 TDP1 (0.39) GAAALDH1A1USP2PKMHPGD
SCHEMBL22303989 0.80 ALDH1A1 (0.41) GAAALDH1A1USP2PKMHPGD

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
CN-108346824-A Nonaqueous electrolytic solution and nonaqueous electrolytic solution secondary battery 索尼公司 2018-07-31 CN disclosed
CN-101516948-B Diamine chain extender compositions ALBEMARLE CORP 2012-08-15 CN disclosed
CN-101568566-B Formulations for reaction injection molding and for spray systems ALBEMARLE CORP 2012-07-11 CN disclosed
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-03-18 US disclosed
CN-100384823-C Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2008-04-30 CN disclosed
CN-101029042-A Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-09-05 CN disclosed
CN-1262540-C Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2006-07-05 CN disclosed
CN-1775759-A Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2006-05-24 CN disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 US disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US disclosed
CN-1382124-A Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2002-11-27 CN disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (4 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-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR GAA 4834/4885ALDH1A1 2131/4885USP2 3856/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR GAA 4834/4885ALDH1A1 2131/4885USP2 3856/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 GAA 4885/4885ALDH1A1 2798/4885USP2 2793/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR GAA 4834/4885ALDH1A1 2131/4885USP2 3856/4885

“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.