SCHEMBL2979622

SCHEMBL2979622

CCC(C)(C)C(C(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
EPHX1 P07099 6/20 0.35
RECQL P46063 1/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DPP4 P27487 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL13328505 0.84 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL115296 0.80 EPHX1 (0.40) ALDH1A1SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL26407314 0.80 EPHX1 (0.40) ALDH1A1SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL19138721 0.80 SHBG (0.36) SHBGALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL28621311 0.79 EPHX1 (0.39) ALDH1A1SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL9899213 0.78 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL1903296 0.74 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL19529529 0.73 PDK1 (0.45) SHBGALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL19529515 0.73 PDK1 (0.45) SHBGALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL19529501 0.73 PDK1 (0.45) SHBGALDH1A1SMN1; SMN2CYP2C9CYP2C19

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276452-B2 PERFUMED COSMETIC PREPARATION CONTAINING CITRONELLOL BEIERSDORF AG (DE) 2022-01-05 EP claimed
EP-2276449-B2 PERFUMED COSMETIC PREPARATION BEIERSDORF AG (DE) 2021-12-29 EP claimed
EP-2276449-B1 PERFUMED COSMETIC PREPARATION BEIERSDORF AG (DE) 2016-09-21 EP claimed
EP-2276452-B1 PERFUMED COSMETIC PREPARATION CONTAINING CITRONELLOL BEIERSDORF AG (DE) 2016-09-14 EP claimed
US-11072625-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2021-07-27 US disclosed
US-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2019-08-01 US disclosed
US-9719058-B2 Fragrant oil encapsulation PAPIERFABRIK AUGUST KOEHLER SE (DE) 2017-08-01 US disclosed
US-20150210965-A1 FRAGRANT OIL ENCAPSULATION SYMRISE AG (DE) 2015-07-30 US disclosed
US-20120308486-A1 Fragrance and/or flavoring compositions containing dioxolanes SYMRISE AG (DE) 2012-12-06 US disclosed
US-20100310479-A1 USE OF CERTAIN ISOPROPYL METHYLCYCLOHEXENE THIOLS AS FRAGRANCES AND/OR FLAVORS SYMRISE GMBH & CO. KG (DE) 2010-12-09 US disclosed
US-7368613-B2 Sandal fragrances SYMRISE GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20070037733-A1 Use of 3-cyclohexenyl-1-propanol as a fragrance SYMRISE GMBH & CO. KG (DE) 2007-02-15 US disclosed
US-20060281648-A1 Sandal Fragrances SYMRISE GMBH & CO. KG (DE) 2006-12-14 US 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 (4 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-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG SHBG 248/4885ALDH1A1 759/4885SMN1; SMN2 2462/4885
US-11072625-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG SHBG 226/4885ALDH1A1 773/4885SMN1; SMN2 2259/4885
US-20120308486-A1 Fragrance and/or flavoring compositions containing dioxolanes FDFT1, DECR1, DOHH SHBG 1133/4885ALDH1A1 69/4885SMN1; SMN2 4042/4885
US-20100310479-A1 USE OF CERTAIN ISOPROPYL METHYLCYCLOHEXENE THIOLS AS FRAGRANCES AND/OR FLAVORS TAS2R5, TAS2R1, TAS2R20 SHBG 339/4885ALDH1A1 281/4885SMN1; SMN2 2581/4885

“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.