SCHEMBL2138447

SCHEMBL2138447

FC(F)(F)c1cc(-c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.65
RXRA P19793 3/20 0.59
RXRB P28702 3/20 0.59
RXRG P48443 2/20 0.59
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
PTPN1 P18031 3/20 0.47
PTPN5 P54829 1/20 0.47
TACR1 P25103 2/20 0.46
GLO1 Q04760 1/20 0.46
P2RX1 P51575 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL28222642 0.98 KIF11 (0.70) KIF11RXRARXRBRXRGALDH1A1
Nitrogen SCHEMBL27657438 0.95 KIF11 (0.60) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL31093906 0.95 KIF11 (0.65) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL5123246 0.87 RXRA (0.58) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL25489511 0.85 RXRA (0.48) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL15499268 0.85 RXRA (0.48) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL4266470 0.85 KIF11 (0.54) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL3783746 0.85 KIF11 (0.54) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL17204158 0.85 KIF11 (0.54) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL30087058 0.85 KIF11 (0.54) KIF11RXRARXRBRXRGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689394-B2 Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof THE UNIVERSITY OF TOKYO (JP) 2020-06-23 US claimed
US-20190177336-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2019-06-13 US claimed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 WO disclosed
EP-4223739-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2023-08-09 EP disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-11444250-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-09-13 US disclosed
CN-113200938-B Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2022-08-26 CN disclosed
CN-114364653-A Cerium (IV) complexes and their use in organic electronic components 克雷多西斯有限公司 2022-04-15 CN disclosed
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-23 US disclosed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO disclosed
US-6878830-B2 Catalytic boronate ester synthesis from boron reagents and hydrocarbons BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-04-12 US disclosed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US disclosed
US-6867302-B2 Process for the catalytic synthesis of biaryls and polymers from aryl compounds BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-03-15 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed
US-20030109380-A1 Catalytic boronate ester synthesis from boron reagents and hydrocarbons BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2003-06-12 US disclosed
US-20030109713-A1 Process for the catalytic synthesis of biaryls and polymers from aryl compounds BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-06-12 US disclosed
US-6255545-B1 BROMINATION OF BENZENE, M-BIS/TRIFLUOROMETHYL/-WITH 1,3-DIBROMO-5,5-DIMETHYLHYDANTOIN OR BROMOSUCCINIMIDE IN THE PRESENCE OF ACETIC ACID AND SULFURIC ACID MERCK & CO., INC. 2001-07-03 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 (7 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-10689394-B2 Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof BRD4, DRD4, TH KIF11 3418/4885RXRA 1101/4885RXRB 729/4885
US-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R KIF11 4169/4885RXRA 1395/4885RXRB 1565/4885
US-11444250-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA KIF11 3284/4885RXRA 1400/4885RXRB 1086/4885
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination KRAS, NRAS, DDT KIF11 414/4885RXRA 566/4885RXRB 576/4885
US-20030109713-A1 Process for the catalytic synthesis of biaryls and polymers from aryl compounds PAH, BRSK1, BLVRB KIF11 4395/4885RXRA 3363/4885RXRB 2428/4885
US-20190177336-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF DERL1, UBQLN1, ADRM1 KIF11 2686/4885RXRA 3110/4885RXRB 2852/4885
US-20030109380-A1 Catalytic boronate ester synthesis from boron reagents and hydrocarbons HBB, BTD, HMBS KIF11 4621/4885RXRA 438/4885RXRB 279/4885

“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.