SCHEMBL4098437

SCHEMBL4098437

CC(C)CCc1cc(N)no1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TLR7 Q9NYK1 1/20 0.34
HRH4 Q9H3N8 3/20 0.32
SORT1 Q99523 2/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL11291872 0.84 HPGD (0.34) NOS3NOS1NOS2HPGDRAB9A
SCHEMBL2791170 0.80 ALDH1A1 (0.43) NOS3NOS1NOS2HPGDRAB9A
SCHEMBL1320486 0.78 VHL (0.47) NOS3NOS1NOS2HPGDRAB9A
SCHEMBL4112008 0.78
SCHEMBL19772267 0.77 RAB9A (0.40) NOS3NOS1NOS2HPGDRAB9A
SCHEMBL17471237 0.77 EPHX2 (0.40) NOS3NOS1NOS2HPGDRAB9A
SCHEMBL14021949 0.77 RAB9A (0.36) NOS3NOS1NOS2HPGDRAB9A
SCHEMBL1758968 0.74 PPARA (0.43) NOS3NOS1NOS2HPGDRAB9A
SCHEMBL2536820 0.74 HPGD (0.35) NOS3NOS1NOS2HPGDRAB9A
SCHEMBL4104171 0.73 PPARA (0.49) NOS2RAB9ATLR7

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 NOS3 777/4885NOS1 957/4885NOS2 892/4885

“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.