SCHEMBL12032015

SCHEMBL12032015

COC(C)(CC=C(C)C)CC=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
GGPS1 O95749 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL14330211 0.89 ALOX15 (0.35) ALOX15
SCHEMBL14330210 0.75 ALOX15 (0.48) MAPK1ALOX15GGPS1MEN1ALDH1A1
SCHEMBL1448778 0.75 MAPK1 (0.32) MAPK1ALOX15
SCHEMBL4277832 0.71
SCHEMBL1698052 0.71 KMT2A (0.41) MAPK1ALOX15GGPS1MEN1ALDH1A1
SCHEMBL17058709 0.70 ALOX15 (0.44) MAPK1ALOX15MEN1ALDH1A1TSHR
SCHEMBL5689294 0.70 L3MBTL1 (0.37) MAPK1ALOX15MEN1ALDH1A1TSHR
SCHEMBL1659356 0.69 BTN3A1 (0.33) ALDH1A1TSHR
SCHEMBL2012222 0.69
SCHEMBL1659354 0.69 BTN3A1 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994793-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2018-06-12 US disclosed
US-20160326458-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-11-10 US disclosed
US-20150141310-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2015-05-21 US disclosed
US-8987187-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2015-03-24 US disclosed
US-20110308556-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2011-12-22 US disclosed
US-20110308555-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2011-12-22 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 (3 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-20150141310-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 MAPK1 4423/4885ALOX15 599/4885MMP1 2221/4885
US-20110308555-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 MAPK1 4423/4885ALOX15 599/4885MMP1 2221/4885
US-20110308556-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 MAPK1 4423/4885ALOX15 599/4885MMP1 2221/4885

“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.