SCHEMBL5835600

SCHEMBL5835600

CC(C)c1cc(OCc2ccccc2)cc2cc3n(c12)C(C(C)C(=O)O)CC3

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.40
HRH3 Q9Y5N1 4/20 0.39
SRD5A2 P31213 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 3/20 0.36
ALOX5 P09917 1/20 0.36
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
BCL2 P10415 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35
YAP1 P46937 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL5773185 0.86 HRH3 (0.37) HRH3SRD5A2YAP1LMNA
SCHEMBL5777167 0.85 GLRA1 (0.40) GLRA1HRH3SRD5A2MEN1KMT2A
SCHEMBL5836339 0.78 TBXA2R (0.31)
SCHEMBL6730215 0.69 PTGS2 (0.31) ALDH1A1
SCHEMBL26037331 0.65 SRD5A2 (0.45) GLRA1SRD5A2MEN1KMT2AKDM4E
SCHEMBL5797215 0.64 TBXA2R (0.36)
SCHEMBL2207602 0.63 ALOX5 (0.43) HRH3SRD5A2FFAR1ALOX5MRGPRX4
SCHEMBL4819103 0.63 MAOB (0.59) GLRA1SRD5A2MEN1KMT2AALOX5
SCHEMBL5788455 0.63 BACE1 (0.54) HRH3FFAR1
SCHEMBL7352801 0.62 S1PR1 (0.48) HRH3FFAR1MRGPRX4

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-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR GLRA1 336/4885HRH3 67/4885SRD5A2 598/4885

“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.