SCHEMBL8302732

SCHEMBL8302732

Cc1ccc(C)c(OCCCO)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
CYP2C9 P11712 2/20 0.58
PPARA Q07869 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TTR P02766 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C8 P10632 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA1A P35348 1/20 0.58
PPARG P37231 1/20 0.58
HTR2B P41595 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
CISD1 Q9NZ45 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
HTT P42858 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL15871994 0.94 TSHR (0.65) TSHRCYP2C9PPARATDP1SMN1; SMN2
SCHEMBL516010 0.90 TSHR (0.64) TSHRCYP2C9PPARATDP1SMN1; SMN2
SCHEMBL17124807 0.90 TSHR (0.59) TSHRCYP2C9PPARATDP1SMN1; SMN2
SCHEMBL5266458 0.88 TSHR (0.70) TSHRCYP2C9PPARATDP1SMN1; SMN2
SCHEMBL5929495 0.86 TSHR (0.67) TSHRCYP2C9PPARATDP1SMN1; SMN2
SCHEMBL11963241 0.85 SMN1; SMN2 (0.53) TSHRSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL10111043 0.84 TSHR (0.57) TSHRCYP2C9PPARATDP1SMN1; SMN2
SCHEMBL10241943 0.82 TSHR (0.64) TSHRCYP2C9PPARATDP1SMN1; SMN2
SCHEMBL2092305 0.82 TSHR (0.58) TSHRCYP2C9PPARATDP1SMN1; SMN2
SCHEMBL13433956 0.81 ACHE (0.59) CYP2C9TDP1SMN1; SMN2CYP1A2HTT

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
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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-20090035313-A1 Compounds NQO1, NAMPT, NNT TSHR 1905/4885CYP2C9 545/4885PPARA 925/4885

“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.