SCHEMBL2235317

SCHEMBL2235317

Cc1ccc2c(c1)CCc1c(CO)ncn1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
SRD5A1 P18405 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GABRG2 P18507 10/20 0.37
GABRB3 P28472 10/20 0.37
GABRA5 P31644 10/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
IDH1 O75874 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL2233887 0.89 ALDH1A1 (0.35) NOTUMSRD5A1ALDH1A1GABRG2GABRB3
SCHEMBL2234063 0.82 KCNJ1 (0.33) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL2234596 0.81 GABRG2 (0.34) SRD5A1ALDH1A1KDM4EGABRG2GABRB3
SCHEMBL2234603 0.81 GABRG2 (0.34) SRD5A1ALDH1A1KDM4EGABRG2GABRB3
SCHEMBL2234469 0.80 SRD5A1 (0.40) SRD5A1ALDH1A1KDM4EGABRG2GABRB3
SCHEMBL10006103 0.78 GABRG2 (0.41) NOTUMALDH1A1GABRG2GABRB3GABRA5
SCHEMBL2235144 0.75 HRH3 (0.48) SRD5A1PDK1PDK2PDK3PDK4
SCHEMBL2234256 0.75 NOTUM (0.38) NOTUMSRD5A1ALDH1A1KDM4EGABRG2
SCHEMBL10006128 0.75 GABRG2 (0.39) NOTUMGABRG2GABRB3GABRA5GABRA1
SCHEMBL12255864 0.75 CPB2 (0.42)

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 NOTUM 547/4885SRD5A1 1412/4885ALDH1A1 4182/4885

“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.