SCHEMBL17616616

SCHEMBL17616616

Cc1cc(C)c(OCc2ccccc2N)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 2/20 0.34
MAOB P27338 4/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
TSHR P16473 1/20 0.34
SCN8A Q9UQD0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33
PARP10 Q53GL7 2/20 0.32
MPO P05164 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32

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
SCHEMBL16273694 0.87 FFAR1 (0.36) FFAR1FFAR4MAPTLMNATHRA
SCHEMBL17616647 0.79 TSHR (0.34) FFAR1FFAR4MAPTLMNATHRA
SCHEMBL15729343 0.78 KDM1A (0.46) MAPTLMNATHRATHRBTDP1
SCHEMBL17616665 0.78 MAOB (0.43) FFAR1FFAR4MAPTLMNATHRA
SCHEMBL17616615 0.78 TP53 (0.47) FFAR1FFAR4THRATHRBHTT
SCHEMBL17616589 0.77 MAOB (0.47) MAPTHTTMAOBTSHR
SCHEMBL16273704 0.76 FFAR1 (0.34) FFAR1FFAR4MAPTLMNATHRA
SCHEMBL17616623 0.76 CYP3A4 (0.36) FFAR1FFAR4MAPTLMNATHRA
SCHEMBL17616636 0.75 MCL1 (0.42) FFAR1FFAR4MAPTLMNAHTT
SCHEMBL17616639 0.74 L3MBTL1 (0.49) FFAR1FFAR4MAPTLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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 (2 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 FFAR1 1450/4885FFAR4 2605/4885MAPT 2985/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 FFAR1 1556/4885FFAR4 2020/4885MAPT 3398/4885

“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.