SCHEMBL180129

SCHEMBL180129

CC(=O)C1(C)CCC2=C(C1C)C(C)(C)CCC2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ POLB P06746 1/20 0.36
▸ MCL1 Q07820 1/20 0.33
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL290879 1.00 ALDH1A1 (0.54) ALDH1A1TDP1POLBMCL1CYP1A2
SCHEMBL3841134 1.00 ALDH1A1 (0.54) ALDH1A1TDP1POLBMCL1CYP1A2
Cis-3-Hexenol SCHEMBL3676741 0.84 ALDH1A1 (0.41) ALDH1A1TDP1
Cis-3-Hexenol SCHEMBL3676743 0.84 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL8145148 0.83 ALDH1A1 (0.40) ALDH1A1TDP1POLBMCL1
SCHEMBL8604295 0.83 ALDH1A1 (0.40) ALDH1A1TDP1POLBMCL1
(Z)-Hex-3-En-1-Yl Acetate SCHEMBL4013342 0.80 ALDH1A1 (0.38) ALDH1A1TDP1
(Z)-Hex-3-En-1-Yl Acetate SCHEMBL4013348 0.80 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL8140336 0.80 ALDH1A1 (0.47) ALDH1A1TDP1POLBMCL1
SCHEMBL8607166 0.80 ALDH1A1 (0.47) ALDH1A1TDP1POLBMCL1

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 401 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
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 — — EP claimed
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 — — EP claimed
EP-4581114-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Novozymes A/S (DK) 2025-07-09 — — EP claimed
WO-2024213507-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-10-17 — — WO 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
US-20240173230-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2024-05-30 — — US claimed
WO-2024046952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS NOVOZYMES A/S (DK) 2024-03-07 — — WO claimed
US-20170073614-A1 Perfume Compositions GIVAUDAN SA (CH) 2017-03-16 — — US claimed
EP-2652102-B1 MOC COMPOSITIONS GIVAUDAN SA (CH) 2016-09-14 — — EP claimed
US-9125828-B2 MOC compositions GIVAUDAN SA (CH) 2015-09-08 — — US claimed
EP-1853542-B1 PROCESS FOR THE PREPARATION OF CIS-2-ACETYL-1,2,3,4,5,6,7,8-OCTAHYDRO-1,2,8,8-TETRAMETHYLNAPHTHALENE GIVAUDAN SA (CH) 2015-07-15 — — EP claimed
EP-2382187-B1 COMPOUND GIVAUDAN SA (CH) 2014-03-19 — — EP claimed
US-20130336911-A1 MOC Compositions GIVAUDAN SA (CH) 2013-12-19 — — US claimed
EP-2652102-A1 MOC COMPOSITIONS Givaudan SA (CH) 2013-10-23 — — EP claimed
WO-2012080235-A1 MOC COMPOSITIONS GIVAUDAN SA (CH) 2012-06-21 — — WO claimed
US-7569732-B2 Cyclisation process GIVAUDAN SA (CH) 2009-08-04 — — US claimed
US-20080114189-A1 Cyclisation Process GIVAUDAN SA (CH) 2008-05-15 — — 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 (3 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-20080114189-A1 Cyclisation Process GGPS1, ECH1, ALG8 ALDH1A1 285/4885TDP1 2960/4885POLB 418/4885
US-12559703-B2 Fragrance composition DHCR24, OPRD1, OR10J3 ALDH1A1 205/4885TDP1 3363/4885POLB 3087/4885
US-20240173230-A1 FRAGRANCE COMPOSITION FABP2, FABP5, FAAH2 ALDH1A1 413/4885TDP1 4566/4885POLB 766/4885

“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.

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