SCHEMBL2235144

SCHEMBL2235144

OCc1ncn2c1CCc1cc(OCc3ccccc3)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
SRD5A1 P18405 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
CYP2D6 P10635 3/20 0.43
HRH1 P35367 1/20 0.43
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL2236228 0.81 SRD5A1 (0.47) HRH3SRD5A1PDK1PDK2PDK3
SCHEMBL2237328 0.78 GABRG2 (0.52) SRD5A1
SCHEMBL2235317 0.75 NOTUM (0.38) SRD5A1PDK1PDK2PDK3PDK4
SCHEMBL8141384 0.72 HRH3 (0.59) HRH3SRD5A1PDK1PDK2PDK3
SCHEMBL2234596 0.71 GABRG2 (0.34) SRD5A1
SCHEMBL28499625 0.69 HRH3 (0.70) HRH3SRD5A1PDK1PDK2PDK3
SCHEMBL21978297 0.69 LMNA (0.50) MAOBMAOALMNACYP1A2PTGS1
SCHEMBL30293242 0.69 SRD5A1 (0.60) HRH3SRD5A1MAOBMAOA
SCHEMBL22432716 0.68 HRH3 (0.60) HRH3SRD5A1PDK1PDK2PDK3
SCHEMBL3052143 0.68 POLB (0.62) SRD5A1MAOBMAOA

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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 HRH3 1505/4885SRD5A1 1412/4885PDK1 3446/4885

“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.