SCHEMBL81052

SCHEMBL81052

CCCCC(CC)CCC(C)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CA2 P00918 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 5/20 0.48
TSHR P16473 4/20 0.48
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRM1 P35372 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL27982407 0.98 ALDH1A1 (0.54) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL17506679 0.90 ALDH1A1 (0.48) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL14473790 0.85 TSHR (0.45) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL524297 0.84 ALDH1A1 (0.65) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL8209309 0.84 ALDH1A1 (0.41) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL14125928 0.83 ALDH1A1 (0.58) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL8371932 0.82 TSHR (0.53) ALDH1A1TDP1TSHR
SCHEMBL8371931 0.82 TSHR (0.53) ALDH1A1TDP1TSHR
SCHEMBL3884493 0.82 ALDH1A1 (0.68) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL2989513 0.81 ALDH1A1 (0.56) ALDH1A1CA2TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711010-A2 PRO-PERFUME COMPOSITIONS Firmenich SA (CH) 2026-03-18 EP claimed
US-RE50800-E1 Pro-fragrance compounds FIRMENICH SA (CH) 2026-02-17 US claimed
US-12509482-B2 3′-ketoglycoside compound for the slow release of a volatile alcohol GLYCOSCIENCE, S.L. (ES) 2025-12-30 US claimed
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP claimed
CN-119403908-A Method for enhancing psychological performance and composition for use in the method 弗门尼舍有限公司 2025-02-07 CN claimed
CN-119281383-A Mesoporous silica catalyst for catalyzing esterification reaction of tricarboxylic acid, and preparation method and application thereof 中国科学院青岛生物能源与过程研究所 2025-01-10 CN claimed
CN-117683395-A Preservation method of nano material, ink, preparation method of ink and electroluminescent device 广东聚华印刷显示技术有限公司 2024-03-12 CN claimed
CN-117683394-A Nanoparticle ink, preparation method thereof and electroluminescent device 广东聚华印刷显示技术有限公司 2024-03-12 CN claimed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO claimed
US-20230183284-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL GLYCOSCIENCE, S.L. (ES) 2023-06-15 US claimed
WO-2001094442-A1 ORGANOLEPTICALLY ACTIVE ALCOHOLS BONDED TO BIODEGRADABLE POLYESTER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-13 WO claimed
WO-2001094438-A1 URETHANE BASED ON ORGANOLEPTICALLY ACTIVE AROMATIC ALCOHOLS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-13 WO claimed
US-6262287-B1 POLYSILOXANE OLIGOMERS GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 2001-07-17 US claimed
US-6133228-A Slow release of fragrant compounds in perfumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or α-keto esters FIRMENICH SA (CH) 2000-10-17 US claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 EP claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP claimed
US-5726345-A Process for perfuming textiles FIRMENICH S.A. (CH) 1998-03-10 US claimed
US-5649979-A LAUNDERING IN PRESENCE OF ESTER COMPOUND WHICH RELEASES FRAGRANT ALCOHOL, ALDEHYDE OR KETONE FIRMENICH S.A. (CH) 1997-07-22 US claimed
EP-0406415-B1 METHOD OF PRODUCING AN ALKYLENE OXIDE ADDUCT LION CORP (JP) 1994-08-24 EP claimed
US-5086175-A Reacting a diisocyanate with a monoalcohol; isocyanuration catalyst; coatings; adhesives; wear resistance; shelf-life TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-04 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 (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-20230183284-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL ADH1C, UGCG, ST6GAL1 ALDH1A1 670/4885CA2 2840/4885TDP1 3355/4885
US-12509482-B2 3′-ketoglycoside compound for the slow release of a volatile alcohol EBP, MGAT1, MGAT3 ALDH1A1 952/4885CA2 2724/4885TDP1 3585/4885

“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.