SCHEMBL23726

SCHEMBL23726

CC(=O)OCC=C(C)CC1=CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 2/20 0.41
GSTP1 P09211 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN1 P18031 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL23724 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15GSTP1TAAR1SMN1; SMN2
SCHEMBL24784 0.78 ALDH1A1 (0.36) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL30603 0.78 ALDH1A1 (0.36) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL15128314 0.76 PTPN1 (0.46) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL27927911 0.76 ALDH1A1 (0.39) ALDH1A1ALOX15GSTP1TAAR1SMN1; SMN2
SCHEMBL722436 0.73 ALDH1A1 (0.44) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL11373811 0.73 SMN1; SMN2 (0.46) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL25212 0.73 ALDH1A1 (0.41) ALDH1A1ALOX15GSTP1TAAR1SMN1; SMN2
SCHEMBL25214 0.73 ALDH1A1 (0.41) ALDH1A1ALOX15GSTP1TAAR1SMN1; SMN2
SCHEMBL472103 0.70 ALDH1A1 (0.47) ALDH1A1ALOX15GSTP1SMN1; SMN2RAB9A

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
US-9845443-B2 Synthesis of a novel odorant VAZE KEDAR RAMESH (IN) 2017-12-19 US disclosed
EP-2609184-B1 PERFUMERY COMPOSITIONS AND SYNTHESIS OF A ODORANT VAZE KEDAR RAMESH (IN) 2017-02-15 EP disclosed
US-20160024424-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2016-01-28 US disclosed
US-9187709-B2 Synthesis of a novel odorant VAZE KEDAR RAMESH (IN) 2015-11-17 US disclosed
EP-2609184-A1 SYNTHESIS OF A NOVEL ODORANT Vaze, Kedar Ramesh (IN) 2013-07-03 EP disclosed
US-20130157923-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2013-06-20 US disclosed
WO-2012025934-A1 SYNTHESIS OF A NOVEL ODORANT VAZE KEDAR RAMESH (IN) 2012-03-01 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-20160024424-A1 SYNTHESIS OF A NOVEL ODORANT OR10J3, OR51E2, TAS2R10 ALDH1A1 1280/4885ALOX15 1505/4885GSTP1 3907/4885

“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.