SCHEMBL112613

SCHEMBL112613

CC(C)CCOCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL18512372 0.85 TDP1 (0.53) SIGMAR1LMNAPKMIDO1
SCHEMBL19101896 0.85 TDP1 (0.53) SIGMAR1LMNAPKMIDO1
Ethylbenzene SCHEMBL2127915 0.84 TP53 (0.56) AOC3KDM4EALDH1A1HSD17B10SIGMAR1
SCHEMBL198134 0.82 TSHR (0.52) ALDH1A1HSD17B10CA1CA2CA9
SCHEMBL58302 0.82 AOC3 (0.43) AOC3SIGMAR1CA1CA2CA9
SCHEMBL155702 0.82 TSHR (0.56) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL14763820 0.82 TSHR (0.56) KDM4EALDH1A1HSD17B10CA1CA2
Hexanoate SCHEMBL28597757 0.81 MAPT (0.49) LMNAPKM
SCHEMBL22268002 0.81 CYP19A1 (0.53) KDM4EALDH1A1
SCHEMBL8914097 0.81 ESR1 (0.47) KDM4EALDH1A1HSD17B10SIGMAR1LMNA

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 1626 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
US-12496370-B2 Freshening compositions comprising controlled release modulators Arylessence, Inc. (US) 2025-12-16 US claimed
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 EP claimed
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
EP-4446001-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-10-16 EP claimed
WO-2024156688-A1 BIODEGRADABLE PERFUME COMPOSITION GIVAUDAN SA (CH) 2024-08-02 WO claimed
EP-4407019-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2024-07-31 EP claimed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO claimed
US-11806448-B2 Freshening compositions comprising controlled release modulators Arylessence, Inc. (US) 2023-11-07 US claimed
WO-1999057233-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 1999-11-11 WO claimed
EP-0596493-B1 Fragrant peracetic acid-containing oxidizing composition NIPPON PEROXIDE CO LTD (JP) 1999-02-03 EP claimed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP claimed
US-5554588-A IN WHICH AT LEAST HALF COMPRISES ETHERS, AROMATIC METHYL KETONES, ALCOHOLS, ESTERS AND SALICYLATES; DEODORANTS AND ACCEPTABLE FRAGRANCE LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-09-10 US claimed
EP-0299561-B1 Perfume and bleach compositions UNILEVER NV (NL) 1996-01-10 EP claimed
US-5451346-A Fragrant peracetic acid-containing oxidizing composition INABATA KORYO CO., LTD. (JP) 1995-09-19 US claimed
EP-0596493-A1 Fragrant peracetic acid-containing oxidizing composition NIPPON PEROXIDE CO., LTD. (JP) 1994-05-11 EP claimed
WO-1993021295-A1 LIQUID OR GEL BLEACHING COMPOSITION CONTAINING AMIDOPEROXYACID BLEACH AND PERFUME THE PROCTER & GAMBLE COMPANY (US) 1993-10-28 WO claimed
WO-1993021296-A1 AQUEOUS LIQUID BLEACH COMPOSITIONS WITH FLUORESCENT WHITENING AGENT AND POLYVINYL PYRROLIDONE OR POLYVINYL ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 1993-10-28 WO claimed
US-5234617-A Cleaning, bleaching fabrics Hunter, Kathleen B. (US) 1993-08-10 US claimed

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-12559703-B2 Fragrance composition DHCR24, OPRD1, OR10J3 AOC3 769/4885KDM4E 143/4885ALDH1A1 205/4885

“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.