SCHEMBL10264288

SCHEMBL10264288

CCCOCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
SLC6A4 P31645 2/20 0.42
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
AR P10275 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
SCN8A Q9UQD0 1/20 0.40
LMNA P02545 1/20 0.40
GRIN2B Q13224 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL15800265 0.85 TSHR (0.50) TSHRALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28780545 0.85 TSHR (0.47) TSHRALDH1A1SLC6A4CARM1PRMT6
SCHEMBL2096362 0.82 ALDH1A1 (0.41) TSHRALDH1A1SLC6A4CARM1PRMT6
SCHEMBL648284 0.80 TSHR (0.43) TSHRALDH1A1LMNAL3MBTL1
SCHEMBL10202615 0.79 ALDH1A1 (0.44) TSHRALDH1A1SLC6A4CARM1PRMT6
SCHEMBL28017391 0.79 ALDH1A1 (0.44) TSHRALDH1A1SLC6A4CARM1PRMT6
SCHEMBL155707 0.78 TSHR (0.58) TSHRALDH1A1SLC6A4LMNAGRIN2B
SCHEMBL3149177 0.78 ALDH1A1 (0.42) TSHRALDH1A1SLC6A4CARM1PRMT6
SCHEMBL10264232 0.78 IDO1 (0.55) ALDH1A1LMNA
SCHEMBL16215598 0.78 ALDH1A1 (0.42) TSHRALDH1A1SLC6A4CARM1PRMT6

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
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 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-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E TSHR 1243/4885ALDH1A1 1334/4885HDAC3 218/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 TSHR 2589/4885ALDH1A1 2432/4885HDAC3 230/4885

“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.