SCHEMBL6833196

SCHEMBL6833196

Cc1c(O)cc(N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
ACHE P22303 1/20 0.40
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
CYP3A4 P08684 2/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 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
SCHEMBL12352542 0.82 ALDH1A1 (0.47) TSHRCASP1ACHEALDH1A1CYP3A4
SCHEMBL1742155 0.82 ACHE (0.58) TSHRCASP1ACHEPDE10AALDH1A1
SCHEMBL22133464 0.77 THRB (0.42) TSHRCASP1ALDH1A1SELLSELP
SCHEMBL10344906 0.76 ALDH1A1 (0.42) TSHRCASP1ACHEPDE10AALDH1A1
SCHEMBL17864552 0.75 ACHE (0.65) TSHRACHEALDH1A1SELLSELP
SCHEMBL5511737 0.75 CA1 (0.36) TSHRCASP1PDE10AALDH1A1CYP3A4
SCHEMBL1144151 0.75 CA9 (0.44) ACHESELLSELPSELECYP3A4
SCHEMBL9743570 0.75 TSHR (0.52) TSHRCASP1ACHEPDE10AALDH1A1
SCHEMBL14087814 0.75 ACHE (0.43) ACHEALDH1A1SELLSELPSELE
SCHEMBL5306395 0.75 ALDH1A1 (0.41) TSHRCASP1ACHEPDE10AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3636639-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2020-04-15 EP disclosed
US-20040255399-A1 Method and compositions for coloring hair with taurate copolymers UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-12-23 US disclosed
US-6146429-A DEVELOPER, COUPLER, BEESWAX AND PROTEIN HYDROLYZATES OR AMINO ACIDS WELLA AKTIENGESELLSCHAFT (DE) 2000-11-14 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 (1 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-20040255399-A1 Method and compositions for coloring hair with taurate copolymers ADH1A, GRHPR, ADH1C TSHR 1574/4885CASP1 2650/4885ACHE 3827/4885

“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.