SCHEMBL2989055

SCHEMBL2989055

COc1cc(CC2CC2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.65
MAPK1 P28482 2/20 0.57
TAAR1 Q96RJ0 2/20 0.57
TSHR P16473 2/20 0.57
CYP3A4 P08684 4/20 0.57
MMP1 P03956 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
FOS P01100 1/20 0.56
TTR P02766 1/20 0.56
JUN P05412 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAP2K1 Q02750 1/20 0.56
NR3C1 P04150 1/20 0.56
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL3367454 0.84 CA2 (0.59) MAPK1LMNAALDH1A1
SCHEMBL17436817 0.84 SHBG (0.66) SHBGMAPK1TAAR1TSHRCYP3A4
SCHEMBL15147254 0.81 SHBG (0.55) SHBGMAPK1TAAR1TSHRCYP3A4
SCHEMBL19923816 0.80 SHBG (0.66) SHBGMAPK1TAAR1TSHRCYP3A4
SCHEMBL29961299 0.80 SHBG (0.70) SHBGMAPK1TAAR1TSHRCYP3A4
SCHEMBL1261582 0.80 SHBG (0.70) SHBGMAPK1TAAR1TSHRCYP3A4
SCHEMBL8106424 0.80 SHBG (0.65) SHBGMAPK1TAAR1TSHRCYP3A4
SCHEMBL14008440 0.79 SHBG (0.53) SHBGMAPK1TAAR1TSHRCYP3A4
SCHEMBL31063566 0.79 SLC6A4 (0.58) SHBG
SCHEMBL30217506 0.79 SHBG (1.00) SHBGMAPK1TAAR1TSHRCYP3A4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401388-B1 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2010-06-16 EP claimed
US-20050042255-A1 Fragrance and flavour compositions GIVAUDAN SA (CH) 2005-02-24 US claimed
EP-1401388-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2004-03-31 EP claimed
WO-2003002084-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2003-01-09 WO claimed
EP-1269982-A1 Fragrance and flavour compositions Givaudan SA (CH) 2003-01-02 EP claimed
US-7777084-B2 Cyclopropanation process GIVAUDAN SA (CH) 2010-08-17 US disclosed
US-7777084-B2 Cyclopropanation process GIVAUDAN SA (CH) 2010-08-17 US disclosed
US-7777084-B2 Cyclopropanation process GIVAUDAN SA (CH) 2010-08-17 US disclosed
EP-1401388-B1 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2010-06-16 EP disclosed
US-7704942-B2 Fragrance and flavour compositions GIVAUDAN SA (CH) 2010-04-27 US disclosed
EP-1828087-B1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2008-12-03 EP disclosed
EP-1828087-B1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2008-12-03 EP disclosed
US-20080275256-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2008-11-06 US disclosed
US-20080275256-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2008-11-06 US disclosed
EP-1828087-A1 CYCLOPROPANATION PROCESS Givaudan SA (CH) 2007-09-05 EP disclosed
WO-2006066436-A1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2006-06-29 WO disclosed
US-20050042255-A1 Fragrance and flavour compositions GIVAUDAN SA (CH) 2005-02-24 US disclosed
EP-1401388-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2004-03-31 EP disclosed
WO-2003002084-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2003-01-09 WO disclosed
EP-1269982-A1 Fragrance and flavour compositions Givaudan SA (CH) 2003-01-02 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 (2 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-20050042255-A1 Fragrance and flavour compositions C5, FAAH2, TRPA1 SHBG 2300/4885MAPK1 3634/4885TAAR1 43/4885
US-20080275256-A1 Cyclopropanation Process C9, TRPA1, HACL2 SHBG 4585/4885MAPK1 3873/4885TAAR1 567/4885

“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.