SCHEMBL21964367

SCHEMBL21964367

CCSCc1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.50
FOLH1 Q04609 1/20 0.50
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.46
CLCN2 P51788 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL28560174 0.88 ALDH1A1 (0.57) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL9272479 0.82 ALDH1A1 (0.46) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL4215184 0.81 ALDH1A1 (0.54) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL11407884 0.81 GAA (0.47) ALDH1A1GAALMNAMAPTKMT2A
SCHEMBL28115 0.80 FOLH1 (0.61) ALDH1A1GAAFOLH1MAPTALOX15
SCHEMBL6914507 0.78 FOLH1 (0.59) ALDH1A1GAAFOLH1MAPTALOX15
Bromide SCHEMBL3173857 0.78 FOLH1 (0.59) ALDH1A1GAAFOLH1MAPTALOX15
Ammonia Solution, Strong SCHEMBL22042013 0.78 FOLH1 (0.59) ALDH1A1GAAFOLH1MAPTALOX15
SCHEMBL6912943 0.78 FOLH1 (0.59) ALDH1A1GAAFOLH1MAPTALOX15
SCHEMBL6916475 0.78 FOLH1 (0.59) ALDH1A1GAAFOLH1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 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-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 ALDH1A1 2622/4885GAA 4813/4885LMNA 1566/4885

“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.