SCHEMBL1653009

SCHEMBL1653009

CC(C)(C)c1cccc(CCC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ACHE P22303 4/20 0.40
TAAR1 Q96RJ0 1/20 0.40
BCHE P06276 5/20 0.38
BACE1 P56817 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
KIF11 P52732 1/20 0.36
CCR9 P51686 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL21177003 0.83 CYP1A2 (0.37) HDAC8TAAR1CYP1A2CYP2C19
SCHEMBL14805471 0.83 HDAC4 (0.44) HDAC4HDAC2HDAC8ACHEBCHE
SCHEMBL16167473 0.82 TAAR1 (0.40) HDAC4HDAC2HDAC8ACHETAAR1
SCHEMBL66607 0.82 TAAR1 (0.61) HDAC8TAAR1
SCHEMBL27871630 0.81 GABRA1 (0.38) CYP1A2RXRARXRBTP53TSHR
SCHEMBL19258592 0.80 MEN1 (0.43) TAAR1
SCHEMBL910853 0.79 MGLL (0.41) CYP1A2TP53
Formaldehyde SCHEMBL28263667 0.79 TAAR1 (0.57) HDAC8TAAR1
SCHEMBL1864936 0.77 TP53 (0.52) TP53TSHRNR1H4
SCHEMBL66122 0.77 TP53 (0.52) TP53TSHRNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
US-20100256421-A1 Propanal Production Methods O'LAUGHLIN INDUSTRIES, CO. LTD. (CN) 2010-10-07 US claimed
EP-2233556-A1 Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof O'Laughlin Industries, Co. Ltd. (HK) 2010-09-29 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
EP-2657218-B1 Novel Fragrance Compounds GIVAUDAN SA (CH) 2017-07-26 EP disclosed
EP-2657218-B1 Novel Fragrance Compounds GIVAUDAN SA (CH) 2017-07-26 EP disclosed
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX, LLC 2017-06-01 US disclosed
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX LLC (US) 2016-10-06 US disclosed
CN-101535232-B Fragrance compound GIVAUDAN S.A. (CH) 2016-05-11 CN disclosed
US-9216975-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion Serentrix, LLC. (US) 2015-12-22 US disclosed
CN-102574757-B M-or to substituted-phenyl alkanol method is prepared by alkylation BASF SE (DE) 2015-12-02 CN disclosed
EP-2233556-A1 Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof O'Laughlin Industries, Co. Ltd. (HK) 2010-09-29 EP disclosed
EP-2233556-A1 Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof O'Laughlin Industries, Co. Ltd. (HK) 2010-09-29 EP disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
CN-101535232-A Novel fragrance compounds QUEST INT SERV BV (NL) 2009-09-16 CN disclosed
EP-2077986-A1 NOVEL FRAGRANCE COMPOUNDS Givaudan Nederland Services B.V. (NL) 2009-07-15 EP disclosed
WO-2008053148-A1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-08 WO disclosed
WO-2008053148-A1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-08 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 (4 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-20100256421-A1 Propanal Production Methods ALDH2, ALDH1A3, TERT HDAC4 3034/4885HDAC2 1907/4885HDAC8 2771/4885
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 HDAC4 2460/4885HDAC2 966/4885HDAC8 2817/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 HDAC4 2460/4885HDAC2 966/4885HDAC8 2817/4885
US-20100069287-A1 Novel Fragrance Compounds C1S, C5, FADS1 HDAC4 2432/4885HDAC2 2178/4885HDAC8 891/4885

“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.