SCHEMBL2438892

SCHEMBL2438892

C=CC[C@@H](O)C1(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TET3 O43151 1/20 0.33
KMT2A Q03164 1/20 0.33
FBXL19 Q6PCT2 1/20 0.33
CXXC5 Q7LFL8 1/20 0.33
TET1 Q8NFU7 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
CXXC4 Q9H2H0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
HDAC4 P56524 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL13307869 1.00 CYP2C19 (0.40) CYP2C19LMNAGAAPTGER1PTGER4
SCHEMBL28495176 0.76 LMNA (0.42) LMNAMAOAMAOBTAAR1DPP4
SCHEMBL13849911 0.73 OPRM1 (0.44) LMNAMAOAMAOBTAAR1
SCHEMBL14402615 0.73 OPRM1 (0.44) LMNAMAOAMAOBTAAR1
SCHEMBL20876291 0.69 CYP2D6 (0.42) HDAC4AKR1C1ALDH1A1
SCHEMBL6125582 0.68 SLC6A2 (0.39) MAOAMAOBTAAR1TET3KMT2A
SCHEMBL8234087 0.68 SLC6A4 (0.46) HDAC4DPP4AKR1C1
SCHEMBL19226675 0.67 OPRM1 (0.48) CYP2C19KMT2AALDH1A1TSHR
SCHEMBL4435176 0.66 MEN1 (0.36) MAOAMAOBTAAR1KMT2AHDAC4
SCHEMBL9384128 0.65 OPRM1 (0.48) LMNAGAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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 (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-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CYP2C19 371/4885LMNA 2578/4885GAA 2452/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CYP2C19 371/4885LMNA 2578/4885GAA 2452/4885

“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.