SCHEMBL1758191

SCHEMBL1758191

Cc1ccc(C2CC2(C)CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 5/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOB P27338 8/20 0.34
MAOA P21397 6/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9515155 0.83 KDM1A (0.49) ALDH1A1ALOX12SMN1; SMN2KDM1AMEN1
SCHEMBL9515156 0.83 KDM1A (0.49) ALDH1A1ALOX12SMN1; SMN2KDM1AMEN1
SCHEMBL20707753 0.74 MAOB (0.45) ALDH1A1KDM1AMEN1KMT2ACYP3A4
SCHEMBL25764630 0.71 MAOB (0.39) ALDH1A1LMNAKDM1AMEN1KMT2A
SCHEMBL16455110 0.71 MAOB (0.65) ALDH1A1KDM1AMEN1KMT2ACYP3A4
SCHEMBL23964612 0.69 MAOB (0.48) ALDH1A1LMNAALOX12SMN1; SMN2KDM1A
SCHEMBL3326226 0.69 LMNA (0.46) ALDH1A1LMNASMN1; SMN2KDM1AMEN1
SCHEMBL17320943 0.68 EEF2K (0.35) ALDH1A1LMNAALOX12SMN1; SMN2MEN1
SCHEMBL16065892 0.68 EEF2K (0.35) ALDH1A1LMNAALOX12SMN1; SMN2MEN1
SCHEMBL16065906 0.68 EEF2K (0.35) ALDH1A1LMNAALOX12SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102597198-B Odorant having anise note FIRMENICH & CIE 2014-03-26 CN claimed
EP-2496674-B1 ODORANTS WITH ANISIC NOTES FIRMENICH & CIE (CH) 2013-06-26 EP claimed
US-8410042-B2 Odorants with anisic notes FIRMENICH SA (CH) 2013-04-02 US claimed
EP-2496674-A1 ODORANTS WITH ANISIC NOTES Firmenich S.A. (CH) 2012-09-12 EP claimed
US-20120208741-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2012-08-16 US claimed
CN-102597198-A Odorant having anise note FIRMENICH & CIE 2012-07-18 CN claimed
WO-2011051834-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2011-05-05 WO claimed
CN-102597198-B Odorant having anise note FIRMENICH & CIE 2014-03-26 CN disclosed
EP-2496674-B1 ODORANTS WITH ANISIC NOTES FIRMENICH & CIE (CH) 2013-06-26 EP disclosed
EP-2496674-B1 ODORANTS WITH ANISIC NOTES FIRMENICH & CIE (CH) 2013-06-26 EP disclosed
US-8410042-B2 Odorants with anisic notes FIRMENICH SA (CH) 2013-04-02 US disclosed
US-8410042-B2 Odorants with anisic notes FIRMENICH SA (CH) 2013-04-02 US disclosed
US-8410042-B2 Odorants with anisic notes FIRMENICH SA (CH) 2013-04-02 US disclosed
EP-2496674-A1 ODORANTS WITH ANISIC NOTES Firmenich S.A. (CH) 2012-09-12 EP disclosed
US-20120208741-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2012-08-16 US disclosed
US-20120208741-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2012-08-16 US disclosed
US-20120208741-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2012-08-16 US disclosed
CN-102597198-A Odorant having anise note FIRMENICH & CIE 2012-07-18 CN disclosed
WO-2011051834-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2011-05-05 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 (1 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-20120208741-A1 ODORANTS WITH ANISIC NOTES C1S, ACMSD, CRAT ALDH1A1 87/4885LMNA 1937/4885ALOX12 621/4885

“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.