SCHEMBL1532583

SCHEMBL1532583

CCCC(=O)OC[C@@H](C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPA1 O75762 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1172092 1.00 TLR2 (0.44) TLR2ALDH1A1SMN1; SMN2KMT2AMAPT
Acetic Acid SCHEMBL28235752 0.97 TLR2 (0.43) TLR2ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL9574183 0.91 SMN1; SMN2 (0.44) TLR2ALDH1A1SMN1; SMN2KMT2ACYP2D6
SCHEMBL28191333 0.89 MAPT (0.55) TLR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL28886779 0.88 MAPT (0.58) TLR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL28384042 0.88 MAPT (0.58) TLR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL28191989 0.88 MAPT (0.58) TLR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL28378432 0.88 MAPT (0.58) TLR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL28377436 0.88 MAPT (0.58) TLR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL27686619 0.86 CYP1A2 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
US-10695277-B2 Pro-fragrance composition AQDOT LIMITED (GB) 2020-06-30 US disclosed
US-20190046426-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2019-02-14 US disclosed
EP-3416729-A1 PRO-FRAGRANCE COMPOSITION Aqdot Limited (GB) 2018-12-26 EP disclosed
WO-2017141030-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2017-08-24 WO disclosed
CN-106999972-A System and method for discharging fragrance 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
US-20110257430-A1 NOVEL COCRYSTALLIZATION APTUIT (KANSAS CITY), LLC (US) 2011-10-20 US disclosed
US-20110251426-A1 SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND S.S.C.I., INC. (US) 2011-10-13 US disclosed
EP-2292585-A1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (KANSAS CITY), LLC (US) 2011-03-09 EP disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 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-20190046426-A1 PRO-FRAGRANCE COMPOSITION COPS5, COPS8, CBR3 TLR2 3919/4885ALDH1A1 1526/4885SMN1; SMN2 2761/4885
US-10695277-B2 Pro-fragrance composition COPS5, COPS8, CBR3 TLR2 3919/4885ALDH1A1 1526/4885SMN1; SMN2 2761/4885

“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.