SCHEMBL12373314

SCHEMBL12373314

CC(C)n1ccc2ccc(Cc3cccc(C(=O)O)c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
FOLH1 Q04609 3/20 0.43
MEP1B Q16820 4/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
PLA2G2A P14555 1/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL12403338 0.83 CA1 (0.47) CA1CA2CA9FOLH1MEP1B
SCHEMBL26119911 0.82 MAPK11 (0.53) ALDH1A1MAPK11MAPK14MCL1
SCHEMBL2273602 0.79 PLG (0.49) CA1CA2CA9FOLH1HTT
SCHEMBL11977074 0.78 PTGS2 (0.47) CA2ALDH1A1MAPK11MAPK14HIF1A
SCHEMBL2277153 0.78 F2 (0.51) CA1CA2CA9FOLH1MRGPRX4
SCHEMBL70351 0.75 FOLH1 (0.70) CA1CA2CA9FOLH1MEP1B
SCHEMBL30791058 0.75 FOLH1 (0.70) CA1CA2CA9FOLH1MEP1B
SCHEMBL758075 0.74 MAPK11 (0.38) CA2CA9MAPK11MAPK14
SCHEMBL2278773 0.74 MRGPRX4 (0.52) MEP1BMRGPRX4
SCHEMBL2277407 0.74 HDAC8 (0.61) MEP1BMRGPRX4BCL2MCL1

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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS CA1 4364/4885CA2 4377/4885CA9 4801/4885

“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.