SCHEMBL112982

SCHEMBL112982

CC(C)c1ccc(CCCC(C)C(C)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 2/20 0.40
ADRB2 P07550 3/20 0.39
LMNA P02545 3/20 0.39
HIF1A Q16665 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
OPRM1 P35372 2/20 0.39
CYP2D6 P10635 1/20 0.39
GALR3 O60755 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB3 P13945 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL114246 0.81 CYP2D6 (0.46) RAB9ANPC1SMN1; SMN2LMNACYP2D6
SCHEMBL18948459 0.81 CYP2D6 (0.46) RAB9ANPC1SMN1; SMN2LMNACYP2D6
SCHEMBL110607 0.78 ESR1 (0.47) RAB9AIDO1LMNAHIF1ASLC6A2
SCHEMBL113058 0.78 RAB9A (0.41) RAB9ANPC1SMN1; SMN2IDO1LMNA
SCHEMBL12065148 0.76 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ADRB2LMNA
SCHEMBL7270007 0.76 IDO1 (0.45) RAB9AIDO1ADRB2LMNAHIF1A
SCHEMBL17923351 0.76 IDO1 (0.45) RAB9AIDO1ADRB2LMNAHIF1A
SCHEMBL11745515 0.76 CYP4A11 (0.47) RAB9ANPC1SMN1; SMN2IDO1ADRB2
SCHEMBL8300024 0.76 SIGMAR1 (0.48) RAB9ANPC1LMNAL3MBTL1SIGMAR1
SCHEMBL3866048 0.76 SIGMAR1 (0.48) RAB9ANPC1LMNAL3MBTL1SIGMAR1

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 58 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 disclosed
EP-4624559-A2 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2025-10-01 EP disclosed
EP-3898910-B1 ALICYCLIC MUSK FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2025-09-03 EP disclosed
EP-3880777-B1 PERFUMING INGREDIENTS WITH LILY OF THE VALLEY NOTE SYMRISE AG (DE) 2025-06-25 EP disclosed
EP-4006130-B1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS SYMRISE AG (DE) 2025-04-09 EP disclosed
EP-4519244-A1 NOVEL FRAGRANCE COMPOUNDS Symrise AG (DE) 2025-03-12 EP disclosed
CN-112969774-B Perfuming ingredients with mugwort flavour 西姆莱斯有限公司 2025-02-14 CN disclosed
US-12110472-B2 Perfuming ingredients with lily of the valley note SYMRISE AG (DE) 2024-10-08 US disclosed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
EP-2966158-B2 Isomers mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2024-03-13 EP disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 US disclosed
EP-2424829-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR Symrise AG (DE) 2012-03-07 EP disclosed
US-20110129432-A1 L-MENTHYL-N-(2-HYDROXYPHENYL)CARBAMATE SYMRISE AG (DE) 2011-06-02 US disclosed
EP-2307357-A1 L-MENTHYL-N-(2-HYDROXYPHENYL)CARBAMATE Symrise AG (DE) 2011-04-13 EP disclosed
EP-2133102-A1 Odor reducers Symrise GmbH & Co. KG (DE) 2009-12-16 EP disclosed
WO-2009144179-A1 L-MENTHYL-N-(2-HYDROXYPHENYL)CARBAMATE SYMRISE GMBH & CO. KG (DE) 2009-12-03 WO disclosed
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2009-09-24 US disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
US-20090123392-A1 FRAGRANCE ACCORDS TO COMBAT THE PERCEPTION OF BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-05-14 US disclosed
EP-2014273-A1 Use of methyl methyl ether and another ether to provide a feeling of cleanliness and purity Symrise GmbH & Co. KG (DE) 2009-01-14 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 (5 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-20110129432-A1 L-MENTHYL-N-(2-HYDROXYPHENYL)CARBAMATE CRAT, LANCL1, ACAT1 RAB9A 4285/4885NPC1 3235/4885SMN1; SMN2 4595/4885
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR ALOX12, ALOX15, ALOX15B RAB9A 2481/4885NPC1 1941/4885SMN1; SMN2 3775/4885
US-12110472-B2 Perfuming ingredients with lily of the valley note PIR, ALG3, PNN RAB9A 4816/4885NPC1 3441/4885SMN1; SMN2 4744/4885
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D RAB9A 4793/4885NPC1 3518/4885SMN1; SMN2 4736/4885
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES ADH1A, ADH1C, ALDH1A1 RAB9A 1356/4885NPC1 2797/4885SMN1; SMN2 2079/4885

“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.