SCHEMBL6473558

SCHEMBL6473558

CC1(C)CCC(C)(C)c2c(OCc3ccccc3)cc([Se]C#CC(=CC(=O)O)c3ccccc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NR4A2 P43354 1/20 0.34
RXRA P19793 3/20 0.34
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
PTGER1 P34995 1/20 0.34
PLA2G4A P47712 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL6530316 1.00 MRGPRX4 (0.35) MRGPRX4MAOBNPC1HPGDRAB9A
SCHEMBL7559556 0.90 RARG (0.33) RXRARARARARBRARGRXRB
SCHEMBL6473696 0.90 RARG (0.33) RXRARARARARBRARGRXRB
SCHEMBL7558331 0.90 RXRA (0.36) MAOBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7558329 0.90 RXRA (0.36) MAOBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7560392 0.83 PLA2G4A (0.36) RXRARARARARBRARGRXRB
SCHEMBL7560394 0.83 PLA2G4A (0.36) RXRARARARARBRARGRXRB
SCHEMBL7560404 0.82 RARA (0.34) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6472712 0.82 RARA (0.34) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6472526 0.76 RXRA (0.37) RXRARARARARBRARGRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921777-B2 Heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-26 US claimed
US-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-01-16 US claimed
US-6444709-B1 SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-09-03 US claimed
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP claimed
US-6921777-B2 Heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-26 US disclosed
US-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-01-16 US disclosed
US-6444709-B1 SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-09-03 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-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them TYR, CYP1B1, MITF MRGPRX4 244/4885MAOB 190/4885NPC1 681/4885

“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.