SCHEMBL17865246

SCHEMBL17865246

Cc1cc(C(C)(C)C)c(C2CO2)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
HSPA5 P11021 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
ATP2A3 Q93084 1/20 0.30

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
SCHEMBL19729050 0.79 CYP1A2 (0.38) CYP2D6CYP1A2
SCHEMBL17865245 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL13385205 0.73 RAPGEF4 (0.35) ALDH1A1POLBKDM4EMAPT
SCHEMBL27519802 0.71 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17865231 0.70 TSHR (0.30)
SCHEMBL17865241 0.67 TRPA1 (0.32)
SCHEMBL7047479 0.66 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL16413144 0.66 TSHR (0.44) ALDH1A1
SCHEMBL25857321 0.66 TSHR (0.44) ALDH1A1
SCHEMBL434782 0.64 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR

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-20170360760-A1 Inhibitors of Bromodomains ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
WO-2016097863-A1 INHIBITORS OF BROMODOMAINS ZENITH EPIGENETICS CORP. (CA) 2016-06-23 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-20170360760-A1 Inhibitors of Bromodomains BRDT, BRD3, BRPF3 SMN1; SMN2 3203/4885ALDH1A1 3551/4885CA2 4402/4885

“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.