SCHEMBL149760

SCHEMBL149760

FC(F)(F)c1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PTPN5 P54829 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
CES2 O00748 3/20 0.33
PDE2A O00408 3/20 0.33
MGLL Q99685 1/20 0.33
KIF11 P52732 2/20 0.32
CA2 P00918 1/20 0.32
HTR2C P28335 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
TDP2 O95551 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL9296691 0.85 KIF11 (0.39) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL16439867 0.85
SCHEMBL11272457 0.85 KIF11 (0.39) TSHRALDH1A1KIF11
SCHEMBL6989320 0.78 KDM1A (0.46) TSHRMAPK1ALDH1A1KIF11HTR2C
SCHEMBL146433 0.76 PDE2A (0.37) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL262756 0.76 NT5E (0.30)
SCHEMBL7682757 0.74 PYCR1 (0.30)
SCHEMBL5463356 0.74 TSHR (0.40) TSHRMAPK1ALDH1A1KIF11
SCHEMBL696976 0.74
SCHEMBL457652 0.74 KIF11 (0.32) KIF11

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 1299 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780864-B2 Rhenium(V) alkylidyne complexes and methods of use and preparation thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-10-10 US claimed
US-20230257355-A1 HYDROXAMIC ACID-CONTAINING COMPOUND, AND PREPARATION METHOD AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-08-17 US claimed
US-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents UNIVERSITY OF ROCHESTER (US) 2023-04-25 US claimed
US-20230059662-A1 Rhenium(V) Alkylidyne Complexes and Methods of Use and Preparation Thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-02-23 US claimed
EP-3988560-A1 SMALL-MOLECULE COMPOUND HAVING A2A ADENOSINE RECEPTOR ANTAGONISM Academy Of Military Medical Sciences (CN) 2022-04-27 EP claimed
WO-2021238328-A1 COMPOUND CONTAINING HYDROXAMIC ACID, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2021-12-02 WO claimed
US-11150555-B2 Photoacid generator and chemically amplified positive-type photoresist composition for thick film comprising the same LG CHEM, LTD. (KR) 2021-10-19 US claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-20200277270-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS UNIVERSITY OF ROCHESTER 2020-09-03 US claimed
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP claimed
US-5859272-A METALLOCENES; PRODUCES POLYOLEFINS HAVING A HIGH MELTING POINT AND A HIGH MOLECULAR WEIGHT; HIGH POLYMERIZATION ACTIVITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1999-01-12 US claimed
US-5859029-A TREATING SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1999-01-12 US claimed
US-5767278-A ANTICARCINOGENIC AGENTS GERON CORPORATION (US) 1998-06-16 US claimed
US-5656639-A POSSESS STRONG AFFINITY FOR NK1 RECEPTORS; USEFUL IN TREATMENT OF SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1997-08-12 US claimed
US-5616663-A TRANSITION METAL COMPOUND, ALUMINOXANE, COMPOUND WHICH REACTS WITH TRANSITION METAL COMPOUND TO FORM ION PAIR MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US claimed
EP-0723959-A1 Heterocyclic compounds as tachykinin receptor antagonists, process for their preparation and pharmaceuticals containing them SANOFI (FR) 1996-07-31 EP claimed
US-5492917-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE, ANTIISCHEMIC,ANTISHOCK, ANTIINFLAMMATORY, ANTIALLERGEN AGENTS MERCK & CO., INC. (US) 1996-02-20 US claimed
WO-1995008989-A1 ENDOTHELIN ANTAGONISTS INCORPORATING A CYCLOBUTANE MERCK & CO., INC. (US) 1995-04-06 WO claimed
WO-1994005276-A1 CYTOTOXIC COMPOUNDS MORGAN LEE R (US) 1994-03-17 WO claimed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US claimed

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-20230059662-A1 Rhenium(V) Alkylidyne Complexes and Methods of Use and Preparation Thereof RNF168, CCND2, RAD50 TSHR 4514/4885MAPK1 4615/4885ALDH1A1 2336/4885
US-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents TNF, C9, CYP51A1 TSHR 4837/4885MAPK1 1566/4885ALDH1A1 1456/4885
US-11780864-B2 Rhenium(V) alkylidyne complexes and methods of use and preparation thereof RNF168, CCND2, RAD50 TSHR 4514/4885MAPK1 4615/4885ALDH1A1 2336/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 TSHR 2846/4885MAPK1 1991/4885ALDH1A1 994/4885
US-20200277270-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS TNF, C9, CYP51A1 TSHR 4837/4885MAPK1 1566/4885ALDH1A1 1456/4885
US-11150555-B2 Photoacid generator and chemically amplified positive-type photoresist composition for thick film comprising the same ASIC1, PPA1, ATP6AP1 TSHR 3936/4885MAPK1 1373/4885ALDH1A1 3269/4885
US-20230257355-A1 HYDROXAMIC ACID-CONTAINING COMPOUND, AND PREPARATION METHOD AND USE THEREOF SI, SCD, SMPD1 TSHR 4095/4885MAPK1 1890/4885ALDH1A1 1686/4885

“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.