SCHEMBL4024088

SCHEMBL4024088

O=Cc1ccc(CCCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
CYP2A6 P11509 4/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
ALDH1A1 P00352 7/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH3A1 P30838 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TYR P14679 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2A13 Q16696 1/20 0.38
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36
DRD1 P21728 1/20 0.35
EGFR P00533 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL3012913 0.86 ALDH1A1 (0.46) HSD17B10CYP2A6ALDH5A1ABATALDH1A1
SCHEMBL5429778 0.85 CYP2A6 (0.50) HSD17B10CYP2A6ALDH5A1ABATALDH1A1
SCHEMBL3266649 0.85 ALDH1A1 (0.44) HSD17B10CYP2A6ALDH5A1ABATALDH1A1
SCHEMBL505983 0.80 HSD17B10 (0.52) HSD17B10CYP2A6ALDH5A1ABATALDH1A1
SCHEMBL15452989 0.80 ALDH1A1 (0.47) HSD17B10CYP2A6ALDH5A1ABATALDH1A1
SCHEMBL8772467 0.79 HSD17B10 (0.73) HSD17B10CYP2A6ALDH5A1ABATALDH1A1
SCHEMBL9860834 0.79 GFER (0.42) CYP2A6ALDH1A1KDM4EKMT2A
SCHEMBL10490665 0.78 ALDH1A1 (0.46) HSD17B10CYP2A6ALDH5A1ABATALDH1A1
SCHEMBL14330452 0.78 CYP2A6 (0.44) HSD17B10CYP2A6ALDH5A1ABATALDH1A1
SCHEMBL2842637 0.78 ALDH1A1 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853608-A Synthetic method of [60] fullerene hydrogen derivative catalyzed by N-heterocyclic carbene 河南师范大学 2022-08-05 CN claimed
CN-115819195-A Preparation method of pterostilbene 三原润禾生物科技有限公司 2023-03-21 CN disclosed
CN-109232175-A A kind of preparation method of chloroethyl substituted aromatic compound 四川理工学院 2019-01-18 CN disclosed
WO-2014130550-A1 SUBSTITUTED DIARYL DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-28 WO disclosed
WO-2014130565-A1 SUBSTITUTED DIARYL AZETIDINE DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-28 WO disclosed
WO-2014130550-A1 SUBSTITUTED DIARYL DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-28 WO disclosed
WO-2014130565-A1 SUBSTITUTED DIARYL AZETIDINE DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-28 WO disclosed
US-20140235613-A1 SUBSTITUTED DIARYL AZETIDINE DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-21 US disclosed
US-20140235613-A1 SUBSTITUTED DIARYL AZETIDINE DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-21 US disclosed
US-20140235585-A1 SUBSTITUTED DIARYL DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-21 US disclosed
CN-102093270-A Stilbene two-photon fluorescence probe for detecting intracellular silver ions UNIV SHAOGUAN 2011-06-15 CN disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
WO-2007012670-A2 COMPOUNDS DERIVED FROM 5-BENZYLIDENE IMIDAZOLIDINE 2,4-DIONE AND THEIR USE AS MCHR-1 ANTAGONISTS CEREP (FR) 2007-02-01 WO disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 US disclosed
EP-0912586-B1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE SYNGENTA PARTICIPATIONS AG (CH) 2002-01-16 EP disclosed
US-6169192-B1 LIGANDS FOR TRANSITION METAL COMPLEXES SUITABLE FOR ENANTIOSELECTIVE HYDROGENATION OF ORGANIC DOUBLE OR TRIPLE BONDS NOVARTIS AG (CH) 2001-01-02 US disclosed
EP-0912586-A1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Novartis AG (CH) 1999-05-06 EP disclosed
WO-1998001457-A1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE NOVARTIS AG (CH) 1998-01-15 WO disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 HSD17B10 974/4885CYP2A6 1144/4885ALDH5A1 2099/4885
US-20140235585-A1 SUBSTITUTED DIARYL DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS S1PR1, S1PR2, S1PR3 HSD17B10 3055/4885CYP2A6 1738/4885ALDH5A1 3655/4885
US-20140235613-A1 SUBSTITUTED DIARYL AZETIDINE DERIVATIVES AS SPHINGOSINE RECEPTOR MODULATORS S1PR2, S1PR1, S1PR5 HSD17B10 4334/4885CYP2A6 1817/4885ALDH5A1 3696/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 HSD17B10 974/4885CYP2A6 1144/4885ALDH5A1 2099/4885

“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.