SCHEMBL4110225

SCHEMBL4110225

CCC(=O)Nc1cc(C)on1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
EGFR P00533 2/20 0.72
GAA P10253 2/20 0.72
MAPT P10636 3/20 0.68
GAPDH P04406 2/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.57
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
APEX1 P27695 1/20 0.57
PTPN7 P35236 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
BCL2L1 Q07817 1/20 0.57

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
SCHEMBL4112089 0.86 ALDH1A1 (0.68) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL145381 0.84 ALDH1A1 (0.70) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL2639258 0.84 ALDH1A1 (0.70) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL4866373 0.84 ALDH1A1 (1.00) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL2639256 0.84 ALDH1A1 (0.70) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL19987440 0.83 ALDH1A1 (0.64) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL22475193 0.81 POLB (0.67) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL19116495 0.81 ALDH1A1 (0.66) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL1302998 0.81 ALDH1A1 (0.66) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL14387700 0.81 MAPT (1.00) ALDH1A1EGFRGAAMAPTPOLB

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716860-A 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-ones and 17-oximes 佛恩多制药有限公司 2023-02-28 CN claimed
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
CN-115716860-A 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-ones and 17-oximes 佛恩多制药有限公司 2023-02-28 CN disclosed
CN-110945007-B 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-one compounds and 17-oximes thereof for inhibiting 17 beta-hydroxysteroid dehydrogenases 佛恩多制药有限公司 2022-11-18 CN disclosed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 WO disclosed
EP-2484342-A1 Hair resiliency / body improver and hair cosmetic Shiseido Company, Limited (JP) 2012-08-08 EP disclosed
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic SHISEIDO COMPANY, LTD. (JP) 2009-09-17 US disclosed
US-20090069324-A1 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2009-03-12 US disclosed
US-20090069324-A1 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2009-03-12 US disclosed
US-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2009-02-19 US disclosed
WO-2008157003-A2 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS THE BURNHAM INSTITUTE (US) 2008-12-24 WO disclosed
CN-101232863-A Agent for improving hair tension and toughness and cosmetic for hair SHISEIDO CO LTD (JP) 2008-07-30 CN disclosed
EP-1911750-A1 AGENT FOR IMPROVEMENT IN BOUNCE/BODY OF HAIR, AND HAIR COSMETIC Shiseido Company, Limited (JP) 2008-04-16 EP disclosed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 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-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases CHRM3, CHRM2, CHRM1 ALDH1A1 1417/4885EGFR 1339/4885GAA 4818/4885
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic MC1R, PNISR, HCRTR1 ALDH1A1 291/4885EGFR 431/4885GAA 4385/4885
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 ALDH1A1 95/4885EGFR 4253/4885GAA 2419/4885
US-20090069324-A1 CHEMICAL INHIBITORS OF BFL-1 AND RELATED METHODS TMBIM6, BCL2L1, BCL2L11 ALDH1A1 2702/4885EGFR 3231/4885GAA 2051/4885

“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.