SCHEMBL4097027

SCHEMBL4097027

CCCCCCc1cc(N)no1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.51
ALDH1A1 P00352 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
TLR8 Q9NR97 2/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 2/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
NOS2 P35228 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL9819439 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9729317 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9728878 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9728795 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9729082 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL4109812 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9729094 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL4104171 0.98 PPARA (0.49) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL1758968 0.92 PPARA (0.43) PPARATLR8NOS2
SCHEMBL4112008 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484342-A1 Hair resiliency / body improver and hair cosmetic Shiseido Company, Limited (JP) 2012-08-08 EP disclosed
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic SHISEIDO COMPANY, LTD. (JP) 2009-09-17 US disclosed
CN-101232863-A Agent for improving hair tension and toughness and cosmetic for hair SHISEIDO CO LTD (JP) 2008-07-30 CN disclosed
EP-1911750-A1 AGENT FOR IMPROVEMENT IN BOUNCE/BODY OF HAIR, AND HAIR COSMETIC Shiseido Company, Limited (JP) 2008-04-16 EP disclosed
CN-1019397-B The method for preparing diphosphonic acid derivative YAMANOUCHI PHARMA CO LTD (JP) 1992-12-09 CN disclosed
EP-0282320-B1 BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-12-11 EP disclosed
US-4973576-A ANTIARTHRITIC AGENTS, TREATMENT OF HYPERCALCEMIA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-11-27 US disclosed
CN-88102021-A Diphosphonic acid derivative and contain the medicine of this derivative 1988-10-05 CN disclosed
EP-0282320-A1 Bisphosphonic acid derivatives and medicines containing the same YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP 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-20090233975-A1 Hair resiliency/body improver and hair cosmetic MC1R, PNISR, HCRTR1 PPARA 1793/4885ALDH1A1 291/4885GPR84 695/4885

“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.