SCHEMBL155657

SCHEMBL155657

CC(=O)c1cc(F)c(F)c(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.41
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
APEX1 P27695 1/20 0.34

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
SCHEMBL8572422 0.87 MEN1 (0.41) KMT2AMEN1POLBKDM4ENSD2
SCHEMBL24436952 0.83 HSD17B1 (0.44) HSD17B1HSD17B2
SCHEMBL3419470 0.83 TSHR (0.39) KMT2AMEN1POLBKDM4ENSD2
SCHEMBL823828 0.82 CES2 (0.43) KMT2AMAPTCES2CES1TSHR
SCHEMBL6324251 0.80 AKR1C2 (0.48) KMT2AMEN1KDM4EMAPTCES2
SCHEMBL24445911 0.79 KDM4E (0.48) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL15495183 0.78 TSHR (0.39) KMT2AMEN1POLBKDM4ENSD2
SCHEMBL6324748 0.78 ALDH1A1 (0.43) POLBCES2CES1ALDH1A1CA1
SCHEMBL10581003 0.78 SMN1; SMN2 (0.45) KMT2APOLBKDM4EMAPTCES2
SCHEMBL31632247 0.76 MAPT (0.39) KMT2AMEN1POLBKDM4ENSD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 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 (3 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP KMT2A 2224/4885MEN1 2977/4885POLB 2880/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP KMT2A 3067/4885MEN1 725/4885POLB 3838/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP KMT2A 3067/4885MEN1 725/4885POLB 3838/4885

“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.