SCHEMBL3748819

SCHEMBL3748819

CC1CCC(O)(CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.50
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL12424446 1.00 ESR2 (0.50) ESR2KDM4EPKMCYP2C9CYP2C19
SCHEMBL12385989 1.00 ESR2 (0.50) ESR2KDM4EPKMCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28232795 0.97 ESR2 (0.48) ESR2KDM4EPKMCYP2C9CYP2C19
SCHEMBL13924884 0.85
SCHEMBL17706160 0.79 KDM4E (0.34) ESR2KDM4EPKMCYP2C9CYP2C19
SCHEMBL3012888 0.79 KDM4E (0.34) ESR2KDM4EPKMCYP2C9CYP2C19
SCHEMBL17835264 0.79 KDM4E (0.34) ESR2KDM4EPKMCYP2C9CYP2C19
SCHEMBL13523771 0.77 KDM4E (0.33) ESR2KDM4EPKMCYP2C9CYP2C19
SCHEMBL25568146 0.77 KDM4E (0.37) ESR2KDM4EPKMCYP2C9CYP2C19
SCHEMBL898237 0.76 KDM4E (0.44) KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107787315-A (1S, 3S, 4R) 4 ((3AS, 4R, 5S, 7AS) 4 (aminomethyl) 7A methyl, 1 methylene octahydro 1H indenes, 5 base) 3 (methylol) 4 methyl cyclohexanol acetate crystalline solid forms 阿奎诺克斯药物(加拿大)公司 2018-03-09 CN claimed
EP-2970100-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals (Canada) Inc. (CA) 2016-01-20 EP claimed
EP-2970122-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals (Canada) Inc. (CA) 2016-01-20 EP claimed
WO-2014158654-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-10-02 WO claimed
WO-2014143561-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-09-18 WO claimed
CN-105209429-B SHIP1 conditioning agents and relative method 阿奎诺克斯药物(加拿大)公司 2018-05-29 CN disclosed
US-20170158703-A9 METHOD FOR PRODUCING SPIROOXINDOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-08 US disclosed
US-20160194331-A1 METHOD FOR PRODUCING SPIROOXINDOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-07-07 US disclosed
EP-2970100-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals (Canada) Inc. (CA) 2016-01-20 EP disclosed
WO-2014143561-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-09-18 WO disclosed
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 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 (2 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-20160194331-A1 METHOD FOR PRODUCING SPIROOXINDOLE DERIVATIVE MDM2, TP53, RB1 ESR2 1997/4885KDM4E 4371/4885PKM 1380/4885
US-20170158703-A9 METHOD FOR PRODUCING SPIROOXINDOLE DERIVATIVE MDM2, TP53, RB1 ESR2 1997/4885KDM4E 4371/4885PKM 1380/4885

“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.