SCHEMBL254896

SCHEMBL254896

FC(F)(F)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
LTA4H P09960 5/20 0.57
MAPK14 Q16539 2/20 0.57
KIF11 P52732 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.53
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
MAOA P21397 1/20 0.50
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47
BACE1 P56817 1/20 0.47
TRPV6 Q9H1D0 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46

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
SCHEMBL11148692 0.90 CA1 (0.52) TSHRALDH1A1LTA4HMAPK14KIF11
SCHEMBL1685383 0.90 CA1 (0.52) TSHRALDH1A1LTA4HMAPK14KIF11
SCHEMBL23059790 0.88 MEN1 (0.49) TSHRALDH1A1LTA4HMAPK14KIF11
SCHEMBL11302861 0.88 MAPK14 (0.52) TSHRALDH1A1LTA4HMAPK14KIF11
SCHEMBL3106183 0.88 MAPK14 (0.52) TSHRALDH1A1LTA4HMAPK14KIF11
SCHEMBL29377645 0.87 LTA4H (0.50) TSHRALDH1A1LTA4HMAPK14KIF11
SCHEMBL25696606 0.84 TSHR (0.46) TSHRALDH1A1LTA4HMAPK14KIF11
SCHEMBL28638978 0.84 L3MBTL1 (0.52) TSHRALDH1A1MAPK14KIF11KMT2A
SCHEMBL15372301 0.82 LTA4H (0.52) TSHRALDH1A1LTA4HMAPK14MEN1
SCHEMBL757765 0.82 LTA4H (0.52) TSHRLTA4HMAPK14MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2024-03-14 US claimed
US-4072500-A Halogenated 4-trifluoromethyl-diphenyl-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US claimed
US-4023958-A Halogenated 4-trifluoromethyl-diphenyl-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US claimed
US-4017300-A Halogenated 4-trifluoromethyl-diphenyl-ether herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-04-12 US claimed
US-3957865-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20210246147-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2021-08-12 US disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-10870715-B2 Solid polyaluminoxane composition, olefin polymerization catalyst, olefin polymer production method and solid polyaluminoxane composition production method MITSUI CHEMICALS, INC. (JP) 2020-12-22 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US disclosed
US-10647695-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2020-05-12 US disclosed
US-4023958-A Halogenated 4-trifluoromethyl-diphenyl-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4023958-A Halogenated 4-trifluoromethyl-diphenyl-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4023958-A Halogenated 4-trifluoromethyl-diphenyl-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4017300-A Halogenated 4-trifluoromethyl-diphenyl-ether herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-04-12 US disclosed
US-4017300-A Halogenated 4-trifluoromethyl-diphenyl-ether herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-04-12 US disclosed
US-4017300-A Halogenated 4-trifluoromethyl-diphenyl-ether herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-04-12 US disclosed
US-3957865-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed
US-3957865-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (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-10647695-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 TSHR 2779/4885ALDH1A1 511/4885LTA4H 3143/4885
US-20210246147-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT TSHR 3065/4885ALDH1A1 265/4885LTA4H 2579/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 TSHR 2846/4885ALDH1A1 994/4885LTA4H 2984/4885
US-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS TEAD2, TEAD3, TEAD4 TSHR 551/4885ALDH1A1 483/4885LTA4H 1595/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TSHR 2455/4885ALDH1A1 1273/4885LTA4H 2761/4885
US-10800750-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD TSHR 3610/4885ALDH1A1 1393/4885LTA4H 881/4885

“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.