SCHEMBL5493759

SCHEMBL5493759

COC(=O)C(C)(C)c1ccc(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
QPCT Q16769 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL16189490 0.88 CNR2 (0.54) CNR1CNR2IMPDH2IMPDH1QPCT
SCHEMBL15383148 0.85 CNR2 (0.48) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL20790108 0.85 ALDH1A1 (0.51) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL29990640 0.85 CNR2 (0.48) CNR1CNR2KMT2AALDH1A1MAPT
SCHEMBL4677036 0.85 CNR2 (0.48) CNR1CNR2CA12CA1CA2
SCHEMBL601528 0.85 CNR2 (0.48) CNR1CNR2
SCHEMBL15456896 0.85 ALDH1A1 (0.50) CNR1CNR2CYP3A4TSHRALDH1A1
SCHEMBL31292420 0.85 LMNA (0.50) CNR1CNR2LMNARAB9A
SCHEMBL26095412 0.85 CNR2 (0.48) CNR1CNR2KMT2AALDH1A1MAPT
SCHEMBL5697959 0.84 MAPT (0.50) CYP1A2CYP2C9CYP2C19CYP3A4TSHR

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-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A CNR1 101/4885CNR2 139/4885CYP1A2 155/4885

“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.