SCHEMBL4885355

SCHEMBL4885355

CCC(c1ccccc1)n1c(C(C)C)c(C=O)c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
SLC22A12 Q96S37 3/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
PLA2G4A P47712 5/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HCAR3 P49019 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACSS2 Q9NR19 1/20 0.34

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
SCHEMBL4883341 0.78 KMT2A (0.43) SLC22A12KDM4EHTTALDH1A1HPGD
SCHEMBL4882576 0.71 S1PR3 (0.61)
SCHEMBL8603362 0.70 SLC22A12 (0.51) KDM4CSLC22A12KDM4EPLA2G4AALDH1A1
Hydrochloric Acid SCHEMBL8602145 0.69 SLC22A12 (0.50) KDM4CSLC22A12KDM4EPLA2G4AALDH1A1
SCHEMBL2482006 0.65 KDM4E (0.56) SLC22A12KDM4EHTTALDH1A1HPGD
SCHEMBL4885356 0.64 S1PR3 (0.42) KDM4EALDH1A1POLB
SCHEMBL1552943 0.64 SLC22A12 (0.49) KDM4CSLC22A12KDM4EPLA2G4AALDH1A1
Hydrochloric Acid SCHEMBL8605198 0.63 SLC22A12 (0.48) KDM4CSLC22A12KDM4EPLA2G4AALDH1A1
SCHEMBL6377411 0.62 ALDH1A1 (0.40) SLC22A12KDM4EALDH1A1POLBL3MBTL1
SCHEMBL13011133 0.61 ALDH1A1 (0.46) SLC22A12KDM4EHTTPLA2G4AALDH1A1

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-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 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-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis PTGIR, S1PR1, TBXA2R KDM4C 1914/4885SLC22A12 4258/4885KDM4E 1436/4885

“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.