SCHEMBL5779039

SCHEMBL5779039

C=CCC(C)(C#N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.43
CYP2D6 P10635 3/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPK1 P28482 1/20 0.39
ATM Q13315 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM3 P20309 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CCR1 P32246 1/20 0.35

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
SCHEMBL988076 0.83 CYP2D6 (0.39) ALDH1A1TSHRMAPTHTTCYP2D6
SCHEMBL24302110 0.78 CYP2D6 (0.43) ALDH1A1MAPTCYP2D6DRD2DRD4
SCHEMBL1492823 0.78 CYP2D6 (0.43) ALDH1A1MAPTCYP2D6DRD2DRD4
SCHEMBL7886997 0.76 ESR1 (0.46) ALDH1A1MAPTCYP2D6DRD2DRD4
SCHEMBL27486307 0.76 CYP2D6 (0.42) ALDH1A1TSHRCYP2D6DRD2DRD4
SCHEMBL21858220 0.76 TAAR1 (0.54) MAPTCYP2D6DRD2DRD4OPRM1
SCHEMBL10624241 0.76 ALDH1A1 (0.48) ALDH1A1TSHRMAPTHTTCYP2D6
SCHEMBL8660747 0.76 ATM (0.56) ALDH1A1TSHRHTTCYP2D6DRD2
SCHEMBL1591769 0.75 ALDH1A1 (0.52) ALDH1A1TSHRMAPTHTTCYP2D6
SCHEMBL1501852 0.75 TAAR1 (0.52) ALDH1A1TSHRMAPTHTTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104546513-B The polymer encapsulating active substance of terpolymer coating 国际香料和香精公司 2019-11-15 CN disclosed
CN-109803632-A High performance, high impact strength fragrance emitting accord 国际香料和香精公司 2019-05-24 CN disclosed
CN-108601837-A extended release fragrance composition 雅芳产品公司 2018-09-28 CN disclosed
CN-104546518-B Stable, flowable dioxide/silica gel capsule preparation 国际香料和香精公司 2018-09-21 CN disclosed
CN-107530297-A Microcapsule composition with high performance 国际香料和香精公司 2018-01-02 CN disclosed
CN-107072960-A Method for preparing multiple capsules 国际香料和香精公司 2017-08-18 CN disclosed
CN-107072900-A High spreadability, the malodor counteracting compound of low smell and application method 国际香料和香精公司 2017-08-18 CN disclosed
CN-105939761-A Extended release fragrance compositions 雅芳产品公司 2016-09-14 CN disclosed
CN-105722495-A Polyurea or polyurethane capsules 国际香料和香精公司 2016-06-29 CN disclosed
CN-104546513-A Terpolymer-coated polymer encapsulated active material INT FLAVORS & FRAGRANCES INC 2015-04-29 CN disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
CN-100565779-C Fluorescent lamp capable of slowly releasing organic evaporation material at low temperature KONINKL PHILIPS ELECTRONICS NV (NL) 2009-12-02 CN disclosed
CN-101057312-A Fluorescent lamp capable of slow release of organic evaporating materials at low temperature KONINKL PHILIPS ELECTRONICS NV (NL) 2007-10-17 CN disclosed
CN-1878528-A Mixture with wintergreen odor and flavor SYMRISE GMBH & CO KG (DE) 2006-12-13 CN disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 WO disclosed
US-4362670-A Allylation of carbon compounds THE DOW CHEMICAL COMPANY (US) 1982-12-07 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 (1 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 3621/4885TSHR 229/4885MAPT 236/4885

“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.