SCHEMBL2234063

SCHEMBL2234063

C=C(C)c1ccc2c(c1)CCc1c(CO)ncn1-2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.33
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
KARS1 Q15046 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRA4 P48169 1/20 0.31
HTR7 P34969 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
SCHEMBL2235317 0.82 NOTUM (0.38) GABRG2GABRB3GABRA5KDM4EALDH1A1
SCHEMBL2234596 0.77 GABRG2 (0.34) GABRG2GABRB3GABRA5KDM4EALDH1A1
SCHEMBL2235144 0.71 HRH3 (0.48)
SCHEMBL2236171 0.71 GABRG2 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2234061 0.69 HTR2A (0.32)
SCHEMBL14344095 0.67 ALDH1A1 (0.45) KCNJ1ALDH1A1HPGDKARS1
SCHEMBL24590870 0.65 ACHE (0.43) KDM4EALDH1A1HPGDRECQLHTR7
SCHEMBL10293863 0.64 GABRG2 (0.50) GABRG2GABRB3GABRA5KDM4EALDH1A1
SCHEMBL20870184 0.63 PDK1 (0.40) ALDH1A1HPGDKARS1
SCHEMBL25632927 0.62 ALDH1A1 (0.53) KDM4EALDH1A1HPGDRECQLHTR7

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 KCNJ1 3268/4885GABRG2 2731/4885GABRB3 1763/4885

“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.