SCHEMBL6472956

SCHEMBL6472956

C#C/C(C)=C/C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GLO1 Q04760 1/20 0.36
MAPT P10636 5/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
CCR6 P51684 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
SCHEMBL6472958 1.00 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL28383690 0.79 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL101514 0.75
SCHEMBL6472670 0.75 NPSR1 (0.46) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL6472672 0.75 NPSR1 (0.46) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL6472629 0.73 NPSR1 (0.44) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL6472630 0.73 NPSR1 (0.44) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL221523 0.73 NPSR1 (0.58) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL8456967 0.73
SCHEMBL9639948 0.73 NPSR1 (0.58) NPSR1HCAR2ALDH1A1LMNAHSD17B10

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-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 NPSR1 1200/4885HCAR2 238/4885ALDH1A1 225/4885

“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.