SCHEMBL6472984

SCHEMBL6472984

COC(=O)C#CC#CS(=O)(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.46
RXRA P19793 13/20 0.46
RXRB P28702 7/20 0.46
RXRG P48443 7/20 0.46
CYP26B1 Q9NR63 3/20 0.41
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL6473142 0.76 RXRA (0.36) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL7558828 0.76 RXRA (0.43) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL6472234 0.75 RXRA (0.47) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL6472228 0.75 RXRA (0.47) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL6472599 0.74 RXRA (0.50) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL7573999 0.74 RXRA (0.41) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL6476670 0.73 RXRA (0.41) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL6476672 0.73 RXRA (0.41) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL22838098 0.68 RXRA (0.52) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL6472379 0.64 RXRA (0.49) CYP26A1RXRARXRBRXRGCYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP26A1 78/4885RXRA 935/4885RXRB 836/4885

“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.