SCHEMBL1275719

SCHEMBL1275719

CCCC(=O)C=CC=C(C)CCC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.59
LMNA P02545 1/20 0.59
PGR P06401 1/20 0.59
ALDH1A1 P00352 3/20 0.52
FNTA P49354 3/20 0.51
FNTB P49356 3/20 0.51
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 3/20 0.42
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.40
UGT1A1 P22309 1/20 0.40
SQLE Q14534 1/20 0.39

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
SCHEMBL1275716 1.00 NR1I2 (0.59) NR1I2LMNAPGRALDH1A1FNTA
Citral SCHEMBL3685903 0.90 ALDH1A1 (0.58) NR1I2LMNAPGRALDH1A1FNTA
Citral SCHEMBL3685905 0.90 ALDH1A1 (0.58) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2861207 0.88 NR1I2 (0.61) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2861204 0.88 NR1I2 (0.61) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL8991676 0.82 ALDH1A1 (0.55) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL23722461 0.82 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL15820994 0.82 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL372460 0.82 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL23722462 0.82 NR1I2 (0.67) NR1I2LMNAPGRALDH1A1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121554-B1 ALDOL CONDENSATION DSM IP ASSETS BV (NL) 2014-04-30 EP claimed
EP-2134670-B1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP ASSETS BV (NL) 2011-02-16 EP claimed
US-7842841-B2 Process for the preparation of timberone DSM IP ASSETS B.V. (NL) 2010-11-30 US claimed
US-20100063325-A1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP ASSETS B.V. (NL) 2010-03-11 US claimed
EP-2134670-A1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP Assets B.V. (NL) 2009-12-23 EP claimed
EP-2121554-A1 ALDOL CONDENSATION DSM IP Assets B.V. (NL) 2009-11-25 EP claimed
WO-2008113545-A1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP ASSETS B.V. (NL) 2008-09-25 WO claimed
WO-2008113563-A1 ALDOL CONDENSATION DSM IP ASSETS B.V. (NL) 2008-09-25 WO claimed
EP-2121554-B1 ALDOL CONDENSATION DSM IP ASSETS BV (NL) 2014-04-30 EP disclosed
EP-2150516-B1 ALDOL CONDENSATION REACTION AND CATALYST THEREFORE DSM IP ASSETS BV (NL) 2011-10-05 EP disclosed
EP-2134670-B1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP ASSETS BV (NL) 2011-02-16 EP disclosed
EP-2134670-B1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP ASSETS BV (NL) 2011-02-16 EP disclosed
US-7842841-B2 Process for the preparation of timberone DSM IP ASSETS B.V. (NL) 2010-11-30 US disclosed
US-7842841-B2 Process for the preparation of timberone DSM IP ASSETS B.V. (NL) 2010-11-30 US disclosed
WO-2008113545-A1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP ASSETS B.V. (NL) 2008-09-25 WO disclosed
WO-2008113545-A1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP ASSETS B.V. (NL) 2008-09-25 WO disclosed
EP-0172519-B1 PROCESS FOR THE PREPARATION OF IONONES BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
EP-0172519-A1 Process for the preparation of ionones BASF Aktiengesellschaft (DE) 1986-02-26 EP disclosed
US-4313855-A CYCLOHEXY HEXANOL DERIVATIVE DRAGOCO GERBERDING & CO. GMBH (DE) 1982-02-02 US disclosed
US-4252986-A Fixative for perfume compositions DRAGOCO GERBERDING & CO. GMBH (DE) 1981-02-24 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-20100063325-A1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE CYP51A1, TIMM10, TIMM50 NR1I2 3899/4885LMNA 1365/4885PGR 2852/4885

“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.