SCHEMBL4875211

SCHEMBL4875211

CCCCN(CCCC)C(c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
IDH1 O75874 2/20 0.41
OPRK1 P41145 4/20 0.40
DRD2 P14416 3/20 0.40
OPRM1 P35372 3/20 0.40
DRD3 P35462 3/20 0.40
OPRD1 P41143 3/20 0.40
CACNA1A O00555 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNB1 Q02641 1/20 0.40
PTGS2 P35354 2/20 0.39
F2R P25116 2/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4884137 0.92 CYP1A2 (0.48) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL9990265 0.81 MEN1 (0.44) OPRK1DRD2OPRM1DRD3OPRD1
Water SCHEMBL29140161 0.79 MEN1 (0.43) OPRK1DRD2OPRM1DRD3OPRD1
SCHEMBL4880979 0.78 TSHR (0.47) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL10024147 0.77 ALDH1A1 (0.54) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL9136823 0.77 TSHR (0.46) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9330111 0.76 CYP1A2 (0.44) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL10024145 0.75 GAA (0.46) CYP1A2TSHRCYP3A4CYP2C9CYP2C19
Water SCHEMBL28973048 0.74 KCNH2 (0.46) OPRK1DRD2OPRM1DRD3OPRD1
SCHEMBL27819823 0.74 KCNH2 (0.50) OPRK1DRD2OPRM1DRD3OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541726-A Process for preparing quinone methide GEN ELECTRIC (US) 2009-09-23 CN disclosed
WO-2008067012-A1 PROCESS FOR THE PRODUCTION OF QUINONE METHIDE GENERAL ELECTRIC COMPANY (US) 2008-06-05 WO disclosed
US-20080132726-A1 PROCESS FOR THE PRODUCTION OF QUINONE METHIDE GENERAL ELECTRIC COMPANY 2008-06-05 US 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-20080132726-A1 PROCESS FOR THE PRODUCTION OF QUINONE METHIDE NQO2, SQOR, MT-ND6 CYP1A2 135/4885TSHR 3910/4885CYP3A4 199/4885

“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.