SCHEMBL3045758

SCHEMBL3045758

CC(Sc1ccccc1)C(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
ACP3 P15309 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 2/20 0.39
PRNP P04156 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PPARG P37231 4/20 0.39
ALOX5 P09917 3/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK10 P53779 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARA Q07869 2/20 0.38

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
SCHEMBL5511628 0.81 ALDH1A1 (0.46) ALDH1A1ACP3CYP2C9CYP2C19HPGD
SCHEMBL28140482 0.81 ALDH1A1 (0.52) ALDH1A1ACP3CYP2C9CYP2C19HPGD
SCHEMBL1669623 0.78 ALDH1A1 (0.48) ALDH1A1ACP3CYP2C9CYP2C19HPGD
SCHEMBL10662615 0.76 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL10268819 0.76 ACE (0.51) ALDH1A1ACP3CYP2C9CYP2C19HPGD
SCHEMBL11479796 0.74 ACP3 (0.46) ALDH1A1ACP3CYP2C9CYP2C19HPGD
SCHEMBL448107 0.74 AKR1B1 (0.51) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL15641295 0.74 AKR1B1 (0.51) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL8120419 0.74 AKR1B1 (0.51) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL6243896 0.73 ALDH1A1 (0.53) ALDH1A1ACP3CYP2C9CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647878-B2 Highly refractive immersion liquids and their use CARL ZEISS AG (DE) 2014-02-11 US disclosed
US-20100212547-A1 Highly Refractive Immersion Liquids And Their Use CARL ZEISS AG (DE) 2010-08-26 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-20100212547-A1 Highly Refractive Immersion Liquids And Their Use NR4A3, NR2E3, NR4A1 ALDH1A1 3757/4885ACP3 4700/4885CYP2C9 3639/4885

“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.