SCHEMBL566340

SCHEMBL566340

O=Cc1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
DRD1 P21728 3/20 0.51
AKR1C3 P42330 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
AKR1C2 P52895 1/20 0.50
AR P10275 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC13A5 Q86YT5 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TRPA1 O75762 3/20 0.42
BACE1 P56817 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
CYP2A6 P11509 1/20 0.41
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL18001851 0.84 KIF11 (0.53) KIF11DRD1AKR1C3DRD2DRD4
SCHEMBL22304414 0.84 AR (0.58) ARFFAR4ALDH1A1SLC13A5PPARG
SCHEMBL24297565 0.82 AR (0.56) KIF11ARFFAR4ALDH1A1SLC13A5
SCHEMBL27900214 0.81 AR (0.46) ARFFAR4ALDH1A1SLC13A5PPARG
SCHEMBL28160252 0.81 AR (0.46) ARFFAR4SLC13A5PPARGPPARA
SCHEMBL2223349 0.81 SCN9A (0.49) KIF11ARTRPA1BACE1TRPM8
SCHEMBL1666926 0.80 DRD1 (0.60) DRD1DRD2DRD4DRD5DRD3
SCHEMBL6111703 0.79 AKR1C3 (0.55) KIF11DRD1AKR1C3DRD2DRD4
SCHEMBL27942308 0.79 SLC13A5 (0.50) KIF11ARFFAR4ALDH1A1SLC13A5
SCHEMBL5523215 0.78 KIF11 (0.54) KIF11ARFFAR4ALDH1A1SLC13A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120117949-A Method for directly preparing tertiary amine compound from aromatic aldehyde, ketone and secondary amine 湖南大学 2025-06-10 CN disclosed
CN-111948905-B Crosslinking agent, photosensitive resin composition and application thereof 固安鼎材科技有限公司 2025-04-08 CN disclosed
CN-117430570-A Rhodamine acetic acid compound, and pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-01-23 CN disclosed
CN-111848954-B Modified polyimide precursor resin, photosensitive resin composition and application thereof 北京鼎材科技有限公司 2023-10-17 CN disclosed
CN-111171317-B Modified polyimide precursor resin, photosensitive resin composition containing same and application of photosensitive resin composition 北京鼎材科技有限公司 2023-04-07 CN disclosed
CN-111948905-A Crosslinking agent, photosensitive resin composition and application thereof 固安鼎材科技有限公司 2020-11-17 CN disclosed
CN-111848954-A Modified polyimide precursor resin, photosensitive resin composition and application thereof 北京鼎材科技有限公司 2020-10-30 CN disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 WO disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US disclosed
US-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 US disclosed
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 US disclosed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO 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 (5 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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KIF11 4374/4885DRD1 796/4885AKR1C3 1778/4885
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 KIF11 3135/4885DRD1 2370/4885AKR1C3 4661/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 KIF11 1692/4885DRD1 4884/4885AKR1C3 2276/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KIF11 4465/4885DRD1 638/4885AKR1C3 1639/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 KIF11 2448/4885DRD1 4841/4885AKR1C3 2837/4885

“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.