SCHEMBL17866573

SCHEMBL17866573

CCCCCc1ccc(C)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.60
CYP3A4 P08684 4/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
PTGS2 P35354 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2C P28335 1/20 0.50
HSPE1 P61604 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL10608353 0.98 SKP2 (0.58) SKP2CYP3A4ESR1ADRA2AADORA3
SCHEMBL9298886 0.98 SKP2 (0.58) SKP2CYP3A4ESR1ADRA2AADORA3
SCHEMBL5838115 0.93 SKP2 (0.68) SKP2CYP3A4ESR1ADRA2AADORA3
SCHEMBL31556195 0.89 SKP2 (0.50) SKP2CYP3A4ESR1ADRA2AADORA3
SCHEMBL598650 0.84 CNR1 (0.50) SKP2CYP3A4ESR1ALDH1A1LPL
SCHEMBL7169112 0.83 SKP2 (0.52) SKP2CYP3A4ESR1ADRA2AADORA3
SCHEMBL24136863 0.82 SKP2 (0.65) SKP2CYP3A4ESR1ADRA2AADORA3
SCHEMBL22604978 0.82 SKP2 (0.89) SKP2CYP3A4ESR1ADRA2AADORA3
SCHEMBL10601286 0.82 ESR1 (0.50) SKP2CYP3A4ESR1ADRA2AADORA3
SCHEMBL18260106 0.82 ESR1 (0.50) SKP2CYP3A4ESR1ADRA2AADORA3

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
EP-3016926-B1 METHOD OF ACYLATING AN AROMATIC COMPOUND DSM IP ASSETS BV (NL) 2017-05-31 EP disclosed
US-20160185699-A1 METHOD OF ACYLATING AN AROMATIC COMPOUND DSM IP ASSETS B.V. (NL) 2016-06-30 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 (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-20160185699-A1 METHOD OF ACYLATING AN AROMATIC COMPOUND ARSA, ACR, APEH SKP2 3138/4885CYP3A4 1033/4885ESR1 658/4885

“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.