SCHEMBL17865245

SCHEMBL17865245

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SYK P43405 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
TSHR P16473 1/20 0.31
HSPA5 P11021 1/20 0.31
ACHE P22303 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
SCHEMBL19729053 0.77 LTB4R (0.35) ALDH1A1CHRNB2CHRNA4HTTPTGS1
SCHEMBL8422197 0.76 ALDH1A1 (0.39) ALDH1A1HTR2CHTR2AHTR2BCHRNB2
SCHEMBL3028569 0.75 TSHR (0.41) ALDH1A1CA2HTR2CHTR2AHTR2B
SCHEMBL17865246 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7787251 0.73 ALDH1A1 (0.36) ALDH1A1HTR2CHTR2AHTR2BCHRNB2
SCHEMBL17865235 0.73 BRD4 (0.38) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL17594923 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL13475891 0.72 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1HTR2CHTR2BCHRNB2
SCHEMBL17865232 0.70 HTR2B (0.41) ALDH1A1HTR2CHTR2AHTR2BCHRNB2
SCHEMBL23713582 0.69 TP53 (0.37) ALDH1A1HTR2CHTR2AHTR2BCHRNB2

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.