SCHEMBL6934289

SCHEMBL6934289

CCCCCCCCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
LPAR1 Q92633 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.50
FAAH O00519 7/20 0.42
CES1 P23141 5/20 0.42
GGPS1 O95749 4/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FDPS P14324 6/20 0.41

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
SCHEMBL664815 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL1697656 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL83980 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL4854234 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23034519 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL11245966 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL24234728 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL465782 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL22268768 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL4434277 1.00 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999033790-A1 INSECTICIDAL FLUORO-SUBSTITUTED BENZOYLUREAS NIHON BAYER AGROCHEM K.K. (DE) 1999-07-08 WO claimed
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
WO-2020255822-A1 RUTHENIUM COMPOUND, RAW MATERIAL FOR THIN FILM FORMATION, AND METHOD FOR FORMING THIN FILM 株式会社ADEKA 2020-12-24 WO disclosed
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE, INC. 2018-04-12 US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-7834009-B2 4-hydroxy-5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
WO-1999033790-A1 INSECTICIDAL FLUORO-SUBSTITUTED BENZOYLUREAS NIHON BAYER AGROCHEM K.K. (DE) 1999-07-08 WO disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 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 (6 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-20180099974-A1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY PSMG3, HSPA5, TTR CES2 2488/4885LPAR1 4308/4885LPAR3 4036/4885
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 CES2 3869/4885LPAR1 1862/4885LPAR3 267/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK CES2 4448/4885LPAR1 1779/4885LPAR3 2184/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 CES2 2258/4885LPAR1 3891/4885LPAR3 3299/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 CES2 3869/4885LPAR1 1862/4885LPAR3 267/4885
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 CES2 2752/4885LPAR1 409/4885LPAR3 304/4885

“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.