SCHEMBL17865232

SCHEMBL17865232

Cc1ccc(C2CO2)c(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.41
CHRM1 P11229 2/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
LPAR1 Q92633 2/20 0.32
HTR2C P28335 3/20 0.32
HTR2A P28223 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL19729054 0.81 LTB4R (0.37) TRPA1LMNAALDH1A1CHRNB2CHRNA4
SCHEMBL8422197 0.76 ALDH1A1 (0.39) HTR2BALDH1A1TSHRCHRNB2CHRNA4
SCHEMBL6276897 0.75 TSHR (0.41) HTR2BCHRM1LMNASLC6A2TSHR
SCHEMBL17865241 0.75 TRPA1 (0.32) HTR2BCHRM1TRPA1LMNASLC6A2
SCHEMBL17865235 0.73 BRD4 (0.38) HTR2BSLC6A2CHRNB2CHRNA4HTR2C
SCHEMBL7787251 0.73 ALDH1A1 (0.36) HTR2BSLC6A2ALDH1A1CHRNB2CHRNA4
SCHEMBL21765348 0.73 GABRA1 (0.34)
SCHEMBL13475891 0.72 ALDH1A1 (0.38) HTR2BSLC6A2ALDH1A1TSHRCHRNB2
SCHEMBL17865245 0.70 SMN1; SMN2 (0.36) HTR2BALDH1A1TSHRCHRNB2CHRNA4
SCHEMBL21603112 0.69 LMNA (0.33) LMNA

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 HTR2B 3491/4885CHRM1 4668/4885TRPA1 4872/4885

“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.