SCHEMBL4775181

SCHEMBL4775181

COCCOc1cc(C(C)=O)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
TP53 P04637 1/20 0.56
SMPD1 P17405 4/20 0.55
ALDH1A1 P00352 2/20 0.54
MAOB P27338 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL6096092 0.94 KMT2A (0.63) KMT2AALDH1A1MAOBCYP1A2CYP3A4
SCHEMBL5050751 0.93 KMT2A (0.55) KMT2ATP53SMPD1ALDH1A1MAOB
SCHEMBL88815 0.92 KMT2A (0.62) KMT2ATP53SMPD1ALDH1A1MAOB
SCHEMBL7358447 0.87 CA12 (0.69) TP53SMPD1TSHRCA12CA1
SCHEMBL7175524 0.87 PDE4B (0.59) KMT2ATP53SMPD1MAOBCYP1A2
SCHEMBL17329448 0.86 KMT2A (0.58) KMT2ASMPD1ALDH1A1MAOBCYP1A2
SCHEMBL22260777 0.86 KMT2A (0.55) KMT2ATP53SMPD1ALDH1A1MAOB
SCHEMBL1013052 0.86 MAPT (0.62) KMT2ATP53SMPD1CYP1A2CYP3A4
SCHEMBL6588516 0.86 SMPD1 (0.64) KMT2ASMPD1MAOBMEN1PDE4D
SCHEMBL7362971 0.86 TP53 (0.55) TP53SMPD1CYP1A2CYP3A4CYP2C9

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
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 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-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A KMT2A 3265/4885TP53 4723/4885SMPD1 30/4885

“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.