SCHEMBL113255

SCHEMBL113255

CC(=O)OC1(C)CCC2C(C)(C)CCCC2(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
ACHE P22303 1/20 0.34
ATM Q13315 1/20 0.34
ALOX15 P16050 1/20 0.33
TP53 P04637 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
PLA2G2A P14555 2/20 0.32
TRPM2 O94759 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL19513299 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19513297 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4105587 0.73 MC4R (0.36) CYP3A4ACHEATMNR1H4EPAS1
SCHEMBL24498650 0.72 ALDH1A1 (0.31) CYP3A4ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL9883158 0.71 ALDH1A1 (0.35) CYP3A4PTPN1ALDH1A1CYP2C9TSHR
SCHEMBL15874511 0.71 ALDH1A1 (0.35) CYP3A4PTPN1ALDH1A1CYP2C9TSHR
SCHEMBL1928919 0.69
SCHEMBL8994736 0.69 CYP3A4 (0.40) CYP3A4ACHEALOX15TP53PTPN2
SCHEMBL1427712 0.69 CYP3A4 (0.40) CYP3A4ACHEALOX15TP53PTPN2
SCHEMBL584183 0.69 CYP1A2 (0.35) CYP3A4PTPN2PTPN1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441953-B2 Isomer mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2025-10-14 US 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
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SYMRISE AG (DE) 2020-12-29 US claimed
EP-3423028-B1 METHOD FOR THE PRODUCTION OF ENCAPSULATED FRAGRANCE WITH IMPROVED STABILITY AGAINST DETERGENTS SYMRISE AG (DE) 2020-04-08 EP claimed
WO-2020015880-A1 BI-PHASE DEODORIZING COSMETIC COMPOSITION BEIERSDORF AG (DE) 2020-01-23 WO claimed
EP-3423028-A1 METHOD FOR THE PRODUCTION OF SCENT CAPSULES WITH IMPROVED SURFACTANT STABLITY Symrise AG (DE) 2019-01-09 EP claimed
US-12630781-B2 Fragrance or flavour mixture SYMRISE AG (DE) 2026-05-19 US disclosed
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system SYMRISE AG (DE) 2026-05-12 US disclosed
EP-4192614-B1 PROCESS FOR THE PREPARATION OF MICROCAPSULES SYMRISE AG (DE) 2026-05-06 EP disclosed
EP-4731617-A1 USE OF DIHYDROPYRAN DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2026-04-29 EP disclosed
EP-4728447-A1 ENVIRONMENTAL ATTRIBUTES FOR AROMA CHEMICAL BASF SE (DE) 2026-04-22 EP disclosed
EP-4724434-A1 AMBERGRIS ISOMERS AND MIXTURES THEREOF Symrise AG (DE) 2026-04-15 EP disclosed
US-20020111519-A1 Process for the preparation of isolongifolanol SYMRISE GMBH & CO. KG (DE) 2002-08-15 US disclosed
US-20020111280-A1 Care agents SYMRISE AG (DE) 2002-08-15 US disclosed
US-6420334-B1 2-ALKOXYDECAHYDRO-2,3A,4,4,7-PENTAMETHYL-3,7A-METHANO-7AH-INDENO(5,6-B)FURANS; ETHERIFICATION AND CYCLIZATION OF HYDROXY KETONE OR ENOL ETHER WITH AN ALCOHOL; FRAGRANCES; PERFUMES; STABILE; EFFECTIVE; LONG-LASTING HAARMANN & REIMER GMBH (DE) 2002-07-16 US disclosed
US-20020077258-A1 Multiphase soaps HAARMANN & REIMER GMBH (DE) 2002-06-20 US disclosed
US-20020055453-A1 Novel macrocyclic ketones SYMRISE GMBH & CO. KG (DE) 2002-05-09 US disclosed
US-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one SYMRISE GMBH & CO. KG (DE) 2001-06-28 US disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 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 (6 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-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one DEK, DPM1, DEGS1 CYP3A4 289/4885ACHE 2088/4885ATM 3320/4885
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system TAS2R7, TAS2R42, TAS2R39 CYP3A4 2442/4885ACHE 48/4885ATM 1673/4885
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SMOX, LIPA, SGMS2 CYP3A4 1233/4885ACHE 52/4885ATM 2538/4885
US-12630781-B2 Fragrance or flavour mixture NOTUM, FFAR2, FFAR1 CYP3A4 1721/4885ACHE 619/4885ATM 1622/4885
US-20020055453-A1 Novel macrocyclic ketones FASN, KCNK5, NOTUM CYP3A4 56/4885ACHE 643/4885ATM 4117/4885
US-20020111519-A1 Process for the preparation of isolongifolanol UGT1A6, UMPS, UGT1A7 CYP3A4 167/4885ACHE 2687/4885ATM 2789/4885

“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.