SCHEMBL896283

SCHEMBL896283

Oc1ccc(I)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
ERN1 O75460 1/20 0.42
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P4HB P07237 4/20 0.35
APP P05067 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KIF11 P52732 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 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
SCHEMBL10208079 0.82 KIF11 (0.38) HSD17B1HSD17B2ERN1ALDH1A1ALOX15
SCHEMBL1555044 0.78 NOTUM (0.37) KIF11TMPRSS4
SCHEMBL5397667 0.77 CES2 (0.44) HSD17B1HSD17B2NR1I2ALDH1A1LMNA
SCHEMBL1530439 0.77 ALDH1A1 (0.61) ERN1NR1I2ALDH1A1LMNACYP2C9
SCHEMBL3534403 0.76 GLA (0.54) HSD17B1HSD17B2
SCHEMBL30595362 0.76 ALDH1A1 (0.60) HSD17B1HSD17B2NR1I2ALDH1A1LMNA
SCHEMBL5511642 0.76 ALDH1A1 (0.60) HSD17B1HSD17B2NR1I2ALDH1A1LMNA
SCHEMBL1938893 0.76 HSD17B1 (0.65) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL29485676 0.76 HSD17B1 (0.65) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL6058773 0.76 NOTUM (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278045-A Polypeptide C (sp) guided by natural amino acid3) Method for arylation or alkynylation modification of-H bond 浙江工业大学 2021-08-20 CN claimed
WO-2025041679-A1 COMPOUND, COMPOSITION, CURED PRODUCT, OPTICALLY ANISOTROPIC BODY, OPTICAL ELEMENT, AND LIGHT GUIDE ELEMENT 富士フイルム株式会社 2025-02-27 WO disclosed
WO-2023109461-A1 BENZOTHIOPHENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海药物研究所 2023-06-22 WO disclosed
CN-116265458-A Benzothiophene derivative, preparation method and application thereof 中国科学院上海药物研究所 2023-06-20 CN disclosed
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 EP disclosed
CN-113278045-A Polypeptide C (sp) guided by natural amino acid3) Method for arylation or alkynylation modification of-H bond 浙江工业大学 2021-08-20 CN disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 EP disclosed
CN-108503631-B Acetolactate synthase inhibitor and application thereof in herbicide 山东康惠植物保护有限公司 2019-12-13 CN disclosed
CN-108633884-B A kind of composition comprising TrinexAN_SNacethyl and its application as herbicide Shandong Runyang Chemical Co., Ltd. (CN) 2019-10-29 CN disclosed
CN-108633898-B A kind of Pesticidal combination of object containing tertiary amines derived and spiral shell worm ethyl ester 山东润扬化学有限公司 2019-10-22 CN disclosed
CN-101842360-A Anti-infective pyrimidines and uses thereof ABBOTT LAB 2010-09-22 CN disclosed
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
CN-101801935-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2010-08-11 CN disclosed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
WO-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 WO disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E HSD17B1 813/4885HSD17B2 1552/4885ERN1 100/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE HSD17B1 3447/4885HSD17B2 3914/4885ERN1 734/4885

“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.