SCHEMBL6473151

SCHEMBL6473151

CC1(C)CCC(C)(C)c2cc(B(O)O)c(OCc3ccc(Cl)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
LIPE Q05469 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
CCR5 P51681 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A4 P31645 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL6473706 0.88 LIPE (0.56) ENPP2LIPENPC1RAB9ALMNA
SCHEMBL6473566 0.87 LIPE (0.42) ENPP2LIPEMAOBCCR5SMN1; SMN2
SCHEMBL6472697 0.87 LIPE (0.46) ENPP2LIPEMAOBMAOASMN1; SMN2
SCHEMBL6477668 0.81 CCR5 (0.46) MAOBCCR5SMN1; SMN2MEN1KMT2A
SCHEMBL6472648 0.79 MAOB (0.48) ENPP2MRGPRX4MAOBSMN1; SMN2MAPT
SCHEMBL4859743 0.77 RXRA (0.51)
SCHEMBL5846427 0.75 RXRA (0.37)
SCHEMBL6477145 0.75 RXRA (0.49)
SCHEMBL2557388 0.72 CCR5 (0.55) ENPP2LIPEMRGPRX4MAOBMAOA
SCHEMBL6472792 0.72 RXRA (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924388-B2 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-02 US disclosed
US-20040092594-A1 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-05-13 US disclosed
US-6632963-B1 Are useful for the treatment of a wide variety of disease states, whether human or veterinary, for example dermatological, rheumatic, respiratory, cardiovascular and ophthalmological disorders, as well as for the treatment of GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2003-10-14 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-20040092594-A1 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof AHR, TYR, MC1R ENPP2 3007/4885LIPE 460/4885MRGPRX4 2023/4885

“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.