SCHEMBL2239635

SCHEMBL2239635

COC(=O)CC/C(C)=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
AKR1C3 P42330 1/20 0.47
AKT1 P31749 1/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
ESRRB O95718 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43

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
SCHEMBL11865044 0.86 RECQL (0.51) RECQLALDH1A1KDM4EAKR1C3AKT1
SCHEMBL2245263 0.85 MEN1 (0.60) RECQLALDH1A1LMNAKDM4EAKR1C3
SCHEMBL2245266 0.85 MEN1 (0.60) RECQLALDH1A1LMNAKDM4EAKR1C3
SCHEMBL2240212 0.85 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL3360462 0.82 RECQL (0.55) RECQLALDH1A1AKR1C3KMT2AHTT
SCHEMBL3274821 0.82 RECQL (0.55) RECQLALDH1A1AKR1C3KMT2AHTT
SCHEMBL28997303 0.79 AKR1C3 (0.50) RECQLALDH1A1KDM4EAKR1C3KMT2A
SCHEMBL11470515 0.77 AKT1 (0.46) ALDH1A1LMNAKDM4EAKT1KMT2A
SCHEMBL11470514 0.77 AKT1 (0.46) ALDH1A1LMNAKDM4EAKT1KMT2A
SCHEMBL10375527 0.77 GLO1 (0.59) ALDH1A1LMNAKDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US disclosed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 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 (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-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 RECQL 3596/4885ALDH1A1 2411/4885LMNA 4053/4885

“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.