SCHEMBL668159

SCHEMBL668159

[c]1c(-c2cccc3ccccc23)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP2A6 P11509 3/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPRT1 P00492 1/20 0.38
KDM4E B2RXH2 2/20 0.36
PTPN1 P18031 1/20 0.36
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 3/20 0.35
HPGD P15428 3/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
THRB P10828 1/20 0.35
DNMT1 P26358 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
GALR1 P47211 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
SCHEMBL20774242 0.93 HPRT1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL668632 0.93 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL20774341 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL668563 0.84 DNMT1 (0.45) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL291172 0.84 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4722326 0.84 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL5445053 0.81 HPRT1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1819078 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL20774019 0.80 CYP1A2 (0.42) ALDH1A1HSD17B10TSHRTDP1HPRT1
SCHEMBL16697744 0.79 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRDNMT1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589496-A Star-shaped triamine compound and organic light-emitting device thereof 长春海谱润斯科技股份有限公司 2023-08-15 CN claimed
CN-116023276-A Organic compound and application thereof 阜阳欣奕华材料科技有限公司 2023-04-28 CN claimed
CN-115872874-A Organic compound and application thereof 阜阳欣奕华材料科技有限公司 2023-03-31 CN claimed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US claimed
US-8900724-B2 Monobenzochrysene derivative, a material for an organic electroluminescence device containing the same, and an organic electroluminescence device using the material IDEMITSU KOSAN CO., LTD. (JP) 2014-12-02 US claimed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP claimed
JP-2007526230-A 2007-09-13 JP claimed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO claimed
EP-0767786-B1 7-ETHER-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UPJOHN CO (US) 1998-09-16 EP claimed
EP-0767786-A1 7-ETHER-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1997-04-16 EP claimed
WO-1996000724-A1 7-ETHER-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1996-01-11 WO claimed
CN-117964609-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2024-05-03 CN disclosed
WO-2024048522-A1 PRINTING INK SET, PRINTED MATTER, AND PACKAGING MATERIAL artience株式会社 2024-03-07 WO disclosed
WO-2023210260-A1 PRINTING INK SET, PRINTED MATTER, AND PACKAGING MATERIAL 東洋インキSCホールディングス株式会社 2023-11-02 WO disclosed
CN-114375204-B Pyrrolobenzodiazepine-antibody conjugates ADC治疗有限公司 2023-08-29 CN disclosed
US-4980268-A POLYAMIC ACID CONVERTIBLE TO POLYIMIDES CIBA-GEIGY CORPORATION (US) 1990-12-25 US disclosed
US-4018925-A Method of arresting bacterial growth with certain selected dichloro-2,2,5,5-tetrasubstituted-3-6-piperazinediones INTERX RESEARCH CORPORATION (US) 1977-04-19 US disclosed
US-4001279-A CARRY INSOLUBLE REAGENT SUBSTANCES INTO SOLUTION IN NON-HYDROXYLIC MEDIA; CROWN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1977-01-04 US disclosed
US-4001279-A CARRY INSOLUBLE REAGENT SUBSTANCES INTO SOLUTION IN NON-HYDROXYLIC MEDIA; CROWN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1977-01-04 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-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 ALDH1A1 590/4885HSD17B10 1095/4885CYP2A6 422/4885

“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.