SCHEMBL6015170

SCHEMBL6015170

Cc1c(Cl)ccc(C=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 8/20 0.39
TSHR P16473 1/20 0.39
KCNJ1 P48048 2/20 0.39
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL4353272 0.84 ALDH1A1 (0.50) TDP1ALDH1A1TSHRKCNJ1CYP1A2
SCHEMBL29818681 0.84 ALDH1A1 (0.50) TDP1ALDH1A1TSHRKCNJ1CYP1A2
SCHEMBL4168460 0.84 TDP1 (0.45) TDP1ALDH1A1TSHRKCNJ1NSD2
SCHEMBL6015172 0.84 TDP1 (0.45) TDP1ALDH1A1TSHRKCNJ1NSD2
SCHEMBL9712540 0.80 TDP1 (0.42) TDP1ALDH1A1TSHRKCNJ1NSD2
SCHEMBL18685382 0.80 TDP1 (0.42) TDP1ALDH1A1TSHRKCNJ1NSD2
SCHEMBL14126643 0.80 TDP1 (0.42) TDP1ALDH1A1TSHRKCNJ1NSD2
SCHEMBL17858546 0.80 TDP1 (0.42) TDP1ALDH1A1TSHRKCNJ1NSD2
SCHEMBL11678590 0.80 ERN1 (0.44) TDP1ALDH1A1TSHRNSD2POLB
SCHEMBL3409591 0.79 ALDH1A1 (0.50) TDP1ALDH1A1TSHRKCNJ1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017027600-A1 GEMINAL SUBSTITUTED AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF α7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-02-16 WO disclosed
US-6984740-B2 Symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY (US) 2006-01-10 US disclosed
EP-1370213-A4 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-26 EP disclosed
EP-1425342-A4 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-05 EP disclosed
EP-1425342-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2004-06-09 EP disclosed
EP-1370213-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2003-12-17 EP disclosed
US-20030127631-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ANDERSON JOHN D (US) 2003-07-10 US disclosed
US-6548581-B2 Radiation transparent polyolefin MILLIKEN & COMPANY 2003-04-15 US disclosed
US-6547988-B2 Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials; also useful as gelling agents for water and organic solvents MILLIKEN & COMPANY 2003-04-15 US disclosed
US-6512030-B2 Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials such as polyolefins; also as gelling agents for antiperspirant gels MILLIKEN & COMPANY 2003-01-28 US disclosed
US-20030013786-A1 Novel asymmetric halogen-alkyl alditol derivatives as nucleators and clarifiers for polyolefins, and polyolefin plastic compositions containing same MILLIKEN & COMPANY 2003-01-16 US disclosed
US-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2003-01-09 US disclosed
US-20020193473-A1 Novel asymmetric monofluorinated benzaldehyde alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2002-12-19 US disclosed
WO-2002077086-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO disclosed
WO-2002076385-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO disclosed
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 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 (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-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ADH1C, ADH1A, ALDOA TDP1 1586/4885ALDH1A1 69/4885TSHR 2045/4885
US-20020193473-A1 Novel asymmetric monofluorinated benzaldehyde alditol derivatives and compositions and articles containing same DERA, ALDOA, SORD TDP1 681/4885ALDH1A1 132/4885TSHR 3959/4885

“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.