SCHEMBL692680

SCHEMBL692680

C=CCN(CC=C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTR2A P28223 3/20 0.35
HRH1 P35367 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRD1 P41143 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL9827793 0.79 DPP4 (0.39) CYP2C19SMN1; SMN2CYP1A2HTR2AHRH1
SCHEMBL1137366 0.79 HTR2A (0.39) CYP2C19ALDH1A1HTR2AHRH1TAAR1
SCHEMBL9285492 0.79 CYP2C19 (0.43) CYP3A4CYP2C19SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL2162784 0.79 CYP2C19 (0.39) CYP3A4CYP2C19SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL2162792 0.79 CYP2C19 (0.39) CYP3A4CYP2C19SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL5696258 0.79 CYP2C19 (0.39) CYP3A4CYP2C19SMN1; SMN2CYP1A2ALDH1A1
Iodide SCHEMBL9934390 0.78 HTR2A (0.38) CYP2C19ALDH1A1HTR2AHRH1TAAR1
Bromide SCHEMBL9933509 0.78 HTR2A (0.38) CYP2C19ALDH1A1HTR2AHRH1TAAR1
Hydrochloric Acid SCHEMBL1898617 0.78 TDP1 (0.39) CYP3A4CYP2C19SMN1; SMN2ALDH1A1HTR2A
SCHEMBL7711655 0.76 ALDH1A1 (0.41) CYP3A4CYP1A2ALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9259436-B2 Poly(urea-urethane) compositions useful as topical medicaments and methods of using the same CHESSON LABORATORY ASSOCIATES, INC. (US) 2016-02-16 US claimed
EP-2207535-B1 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME CHESSON LAB ASSOCIATES INC (US) 2014-08-27 EP claimed
US-20140212370-A1 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME CHESSON LABORATORY ASSOCIATES, INC. (US) 2014-07-31 US claimed
US-8771725-B2 Poly(urea-urethane) compositions useful as topical medicaments and methods of using the same CHESSON LABORATORY ASSOCIATES, INC. (US) 2014-07-08 US claimed
EP-2207535-A2 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME Chesson Laboratory Associates, Inc. (US) 2010-07-21 EP claimed
WO-2009051648-A2 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME CHESSON LABORATORY ASSOCIATES, INC. (US) 2009-04-23 WO claimed
US-20090098194-A1 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME EPI HEALTH, LLC 2009-04-16 US claimed
US-7517943-B2 Golf ball layer compositions formed from oxirane functional endcapped polymers ACUSHNET COMPANY (US) 2009-04-14 US claimed
US-20080253984-A1 METHODS OF INHIBITING THE GROWTH OF ONYCHOMYCOSIS AND URUSHIOL-INDUCED ALLERGIC CONTACT DERMATITIS NAIL GENESIS LLC 2008-10-16 US claimed
WO-2004092632-A2 PROCESS AND COATING FOR SEALING FREEZER ENCLOSURES FMC TECHNOLOGIES, INC. (US) 2004-10-28 WO claimed
US-20040197472-A1 Process and apparatus for sealing freezer enclosures from moisture and contamination FMC TECHNOLOGIES, INC. 2004-10-07 US claimed
US-20180001154-A1 GOLF BALL DIMPLES EXHIBITING TWO DISTINCT HARDNESS REGIONS DERIVED FROM A SINGLE COVER LAYER AND METHODS OF MAKING SAME ACUSHNET COMPANY (US) 2018-01-04 US disclosed
US-20160305182-A1 PARTITION DOOR HAVING SOUND ATTENUATING COATING BANK OF AMERICA, N.A. 2016-10-20 US disclosed
WO-2016037006-A1 PARTITION DOOR HAVING SOUND ATTENUATING COATING CIW ENTERPRISES, INC. (US) 2016-03-10 WO disclosed
US-20160060952-A1 PARTITION DOOR HAVING SOUND ATTENUATING COATING BANK OF AMERICA, N.A. 2016-03-03 US disclosed
WO-2005003203-A2 A THERMOSETTING POLYURETHANE MATERIAL FOR A GOLF BALL COVER CALLAWAY GOLF COMPANY (US) 2005-01-13 WO disclosed
US-20040197472-A1 Process and apparatus for sealing freezer enclosures from moisture and contamination FMC TECHNOLOGIES, INC. 2004-10-07 US disclosed
US-20040116622-A1 [A THERMOSETTING POLYURETHANE MATERIAL FOR A GOLF BALL COVER] CALLAWAY GOLF COMPANY (US) 2004-06-17 US disclosed
EP-1383814-A2 IMPROVED IMR HAVING SYNERGISTIC EFFECT WITH STABILIZING SYSTEM ADDITIVES AND CATALYST PACKAGE Bayer Polymers LLC (US) 2004-01-28 EP disclosed
WO-2002074825-A2 IMPROVED IMR HAVING SYNERGISTIC EFFECT WITH STABILIZING SYSTEM ADDITIVES AND CATALYST PACKAGE BAYER POLYMERS LLC (US) 2002-09-26 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 (3 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-20140212370-A1 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME PUF60, UROD, UNG CYP3A4 4252/4885CYP2C19 3293/4885SMN1; SMN2 3988/4885
US-20090098194-A1 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME PUF60, UROD, UNG CYP3A4 4252/4885CYP2C19 3293/4885SMN1; SMN2 3988/4885
US-20080253984-A1 METHODS OF INHIBITING THE GROWTH OF ONYCHOMYCOSIS AND URUSHIOL-INDUCED ALLERGIC CONTACT DERMATITIS DPM1, AOC1, POLR1C CYP3A4 3571/4885CYP2C19 1199/4885SMN1; SMN2 4758/4885

“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.