SCHEMBL4447005

SCHEMBL4447005

C[CH]CCC1C(C)=CCCC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL32677478 0.86 ALOX15 (0.39) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL31502588 0.80 ALOX15 (0.39) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL31502601 0.80 ALOX15 (0.48) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL9410628 0.78 ALOX15 (0.39) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL20262288 0.77 ALOX15 (0.40) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL18770286 0.77 ALOX15 (0.40) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL9410639 0.76 ALOX15 (0.44) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL22737165 0.76 ALOX15 (0.41) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL11800993 0.76 ALOX15 (0.41) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL1305568 0.75 ALOX15 (0.44) ALOX15ALDH1A1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US claimed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US claimed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP claimed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO claimed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP claimed
US-12018228-B2 Alkoxybenzaldehyde derivatives and precursors thereof GIVAUDAN SA (CH) 2024-06-25 US disclosed
EP-4355728-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2024-04-24 EP disclosed
WO-2022263605-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO disclosed
US-20220002634-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF GIVAUDAN SA (CH) 2022-01-06 US disclosed
EP-3873880-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF Givaudan SA (CH) 2021-09-08 EP disclosed
CN-112930335-A Alkoxybenzaldehyde derivative and precursor thereof 奇华顿股份有限公司 2021-06-08 CN disclosed
EP-2655307-B1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2018-08-01 EP disclosed
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 EP disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP disclosed
EP-0315913-B1 ANTISEBORRHOIC TOPICAL COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-06-10 EP disclosed
US-4939171-A Alkyl and alkenyl aryl ether derivatives; cosmetics HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-03 US disclosed
EP-0315913-A1 Antiseborrhoic topical compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-17 EP 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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 ALOX15 513/4885ALDH1A1 13/4885CYP3A4 235/4885

“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.