SCHEMBL2319798

SCHEMBL2319798

C=CC(c1ccccc1)C(C)C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 3/20 0.36
KMT2A Q03164 2/20 0.35
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 2/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRA2A P08913 1/20 0.33

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
SCHEMBL28143011 0.85 CYP2D6 (0.41) LMNACYP2D6KDM4EKMT2AALDH1A1
SCHEMBL7982706 0.85 LMNA (0.47) LMNACYP2D6CYP2C19KDM4EMAPT
SCHEMBL8015502 0.80 LMNA (0.47) LMNACYP2D6CYP2C19KDM4EMAPT
SCHEMBL15024193 0.80 TP53 (0.40) LMNAHPGDALDH1A1TP53TDP1
SCHEMBL19292352 0.79 LMNA (0.48) LMNACYP2D6CYP2C19KDM4EMAPT
SCHEMBL10348035 0.78 LMNA (0.46) LMNACYP2D6CYP2C19KDM4EMAPT
SCHEMBL2319965 0.77 LMNA (0.43) LMNACYP2D6CYP2C19KDM4EMAPT
SCHEMBL28725269 0.77 LMNA (0.45) LMNACYP2D6CYP2C19KDM4EMAPT
SCHEMBL19711876 0.77 LMNA (0.48) LMNACYP2D6KDM4EALDH1A1TAAR1
SCHEMBL19165393 0.77 LMNA (0.48) LMNACYP2D6KDM4EALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104803861-B Method for synthesizing tapentadol hydrochloride 上海博邦医药科技有限公司 2017-05-24 CN disclosed
CN-104803861-A Method for synthesizing tapentadol hydrochloride SHANGHAI BIOBOND PHARMACEUTICAL CO LTD 2015-07-29 CN disclosed
CN-102202740-B Perfuming ingredients of the floral and/or anisic type FIRMENICH & CIE 2014-03-26 CN disclosed
US-8268895-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2012-09-18 US disclosed
US-8268895-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2012-09-18 US disclosed
US-8268895-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2012-09-18 US disclosed
CN-102202740-A Perfuming ingredients of the floral and/or anisic type FIRMENICH & CIE 2011-09-28 CN disclosed
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-09-22 US disclosed
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-09-22 US disclosed
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-09-22 US disclosed
EP-2352560-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP disclosed
WO-2010052636-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 WO 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-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE OPRM1, CCR4, RCOR1 LMNA 4253/4885CYP2D6 377/4885CYP2C19 1691/4885

“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.