SCHEMBL465606

SCHEMBL465606

O=Cc1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.52
ALDH1A3 P47895 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2A6 P11509 2/20 0.47
PTGES2 Q9H7Z7 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
STS P08842 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
KMT2A Q03164 1/20 0.38
TYR P14679 1/20 0.38

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
SCHEMBL9588774 0.87 DRD1 (0.47) DRD1ALDH1A3ALDH1A1CYP2A6PTGES2
SCHEMBL11124299 0.87 ALDH1A1 (0.58) DRD1ALDH1A3ALDH1A1CYP2A6PTGES2
SCHEMBL13882780 0.83 PTGES2 (0.42) DRD1ALDH1A1PTGES2HSD17B10TSHR
SCHEMBL1907911 0.82 ALDH1A1 (0.48) ALDH1A1PTGES2HSD17B10TSHRTRPV1
SCHEMBL97114 0.81 ALDH1A1 (0.52) DRD1ALDH1A3ALDH1A1CYP2A6HSD17B10
SCHEMBL9823373 0.80 PTGES2 (0.40) DRD1ALDH1A1PTGES2HSD17B10TSHR
SCHEMBL9823923 0.80 ALDH1A1 (0.44) DRD1ALDH1A1PTGES2HSD17B10TSHR
Hydrochloric Acid SCHEMBL3539828 0.79 ALDH1A1 (0.50) DRD1ALDH1A3ALDH1A1CYP2A6STS
SCHEMBL18001880 0.79 DRD1 (0.71) DRD1ALDH1A1PIM1PIM2
SCHEMBL896842 0.78 PIM1 (0.56) DRD1ALDH1A1PIM1PIM2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
US-9403863-B2 Substituted carbonyloxymethylphosphoramidate compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS LLC (US) 2016-08-02 US claimed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME HOLOSMEDIC (KR) 2024-03-28 US disclosed
US-11866515-B2 Hemiasterlin derivatives for conjugation and therapy SUTRO BIOPHARMA, INC. (US) 2024-01-09 US disclosed
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed
US-20230139442-A1 MODIFIED AMINO ACIDS SUTRO BIOPHARMA, INC. 2023-05-04 US disclosed
EP-4174068-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME Holosmedic (KR) 2023-05-03 EP disclosed
CN-115916206-A Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same 治愈医药社株式会社 2023-04-04 CN disclosed
US-11548852-B2 Modified amino acids SUTRO BIOPHARMA, INC. (US) 2023-01-10 US disclosed
EP-4074728-A1 MODIFIED PEPTIDES COMPRISING AN AZIDO GROUP Sutro Biopharma, Inc. (US) 2022-10-19 EP disclosed
WO-1988007516-A1 ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed
US-4754067-A REACTING A SYMETRICAL DIAMINOGUANIDINE WITH HYDROXYLAMINE HYDROCHLORIDE AMERICAN CYANAMID COMPANY (US) 1988-06-28 US disclosed
US-4649148-A Insecticidal uses of diaminoguanidine hydrazone compounds AMERICAN CYANAMID COMPANY (US) 1987-03-10 US disclosed
US-4575560-A ANTIFEEDING AGENTS AMERICAN CYANAMID COMPANY (US) 1986-03-11 US disclosed
US-4371607-A 4-Halogeno-5-(halogenomethyl-phenyl)-oxazole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
EP-0041675-A2 4-Halogen-5-(trichloromethyl-phenyl)-oxazole derivatives, process for preparing them and radiation-sensitive compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-16 EP disclosed
US-4247611-A ACETAL RESIN, ACID DONER HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
EP-0008854-A1 Pentadienone hydrazone, and its use as insecticidal agent AMERICAN CYANAMID COMPANY (US) 1980-03-19 EP disclosed
US-4191768-A Pentadienone hydrazones, method for preparing the same, and insecticidal use thereof AMERICAN CYANAMID COMPANY (US) 1980-03-04 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 (4 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-11548852-B2 Modified amino acids PTMS, DNPEP, ANPEP DRD1 2873/4885ALDH1A3 1565/4885ALDH1A1 2116/4885
US-11866515-B2 Hemiasterlin derivatives for conjugation and therapy CYP17A1, HSD17B7, SHBG DRD1 3672/4885ALDH1A3 952/4885ALDH1A1 1882/4885
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME SLC11A2, ABCC1, TSG101 DRD1 4596/4885ALDH1A3 3347/4885ALDH1A1 3381/4885
US-20230139442-A1 MODIFIED AMINO ACIDS PTMS, DNPEP, ANPEP DRD1 2873/4885ALDH1A3 1565/4885ALDH1A1 2116/4885

“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.