SCHEMBL2240168

SCHEMBL2240168

C/C(=C\CCCO)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ PKM P14618 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ TBXAS1 P24557 3/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ MMP13 P45452 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
SCHEMBL2240179 1.00 ALDH1A1 (0.36) ALDH1A1PKMHTTATMNPSR1
SCHEMBL2240176 1.00 ALDH1A1 (0.36) ALDH1A1PKMHTTATMNPSR1
SCHEMBL10454424 0.82 TBXAS1 (0.45) TBXAS1
SCHEMBL9614155 0.82 TBXAS1 (0.45) TBXAS1
SCHEMBL27820239 0.80 LOXL2 (0.40) SMN1; SMN2TBXAS1
SCHEMBL10951124 0.79 ALDH1A1 (0.41) ALDH1A1PKMHTTATMNPSR1
SCHEMBL10951122 0.79 ALDH1A1 (0.41) ALDH1A1PKMHTTATMNPSR1
SCHEMBL2244115 0.77 ALDH1A1 (0.41) ALDH1A1PKMHTTATMNPSR1
SCHEMBL2244119 0.77 ALDH1A1 (0.41) ALDH1A1PKMHTTATMNPSR1
SCHEMBL2244123 0.77 ALDH1A1 (0.41) ALDH1A1PKMHTTATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 — — US disclosed
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 — — US disclosed
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 — — US disclosed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 — — EP disclosed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 — — 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 (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-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 ALDH1A1 2411/4885PKM 1462/4885HTT 3911/4885
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 ALDH1A1 2411/4885PKM 1462/4885HTT 3911/4885

“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.

Send feedback