SCHEMBL3221182

SCHEMBL3221182

COC1C(=O)c2ccccc2OC1(OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
ALOX15 P16050 2/20 0.44
CYP19A1 P11511 6/20 0.35
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
CYP2C9 P11712 2/20 0.33
GLA P06280 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 2/20 0.32
IDO1 P14902 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL28140395 0.83 CYP3A4 (0.47) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL364562 0.80 CYP3A4 (0.44) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL28459231 0.71 SMN1; SMN2 (0.46) CYP3A4ALOX15SMN1; SMN2CYP2C9GLA
SCHEMBL27789414 0.70 NPC1 (0.33) ATMNPSR1GAA
SCHEMBL27914390 0.69 KCNE1 (0.33) CYP3A4ALOX15SMN1; SMN2ATMCYP2C9
SCHEMBL27866152 0.68 CYP3A4 (0.46) CYP3A4ALOX15CYP19A1CYP2C9CYP1A2
SCHEMBL6239972 0.68 CYP19A1 (0.42) CYP3A4ALOX15CYP19A1CYP2C9IDO1
SCHEMBL27677963 0.67 CYP3A4 (0.42) CYP3A4ALOX15CYP19A1CFTRGOPC
SCHEMBL16291560 0.67 CYP3A4 (0.35) CYP3A4ALOX15ATMCYP2C9GLA
SCHEMBL27885543 0.67 SIGMAR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542871-A1 METHOD FOR MAKING PRINTING PLATE BY INKJET DEPOSITION ON POSITIVE-WORKING MEDIA Creo SRL (CA) 2005-06-22 EP claimed
WO-2004007200-A1 METHOD FOR MAKING PRINTING PLATE BY INKJET DEPOSITION ON POSITIVE-WORKING MEDIA CREO SRL (CA) 2004-01-22 WO claimed
US-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed
US-20160143878-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-05-26 US disclosed
US-20150322033-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2015-11-12 US disclosed
US-20100048494-A1 Natural Products from Vinca RICE UNIVERSITY (US) 2010-02-25 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 (3 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-20160143878-A1 ANTIBACTERIAL AGENT MRPL21, Q6ZSR9, NQO2 CYP3A4 647/4885ALOX15 2774/4885CYP19A1 1340/4885
US-20150322033-A1 ANTIBACTERIAL AGENT Q6ZSR9, MRPL21, NQO2 CYP3A4 734/4885ALOX15 2783/4885CYP19A1 1498/4885
US-20100048494-A1 Natural Products from Vinca HIRA, RDX, SLC22A8 CYP3A4 790/4885ALOX15 4652/4885CYP19A1 227/4885

“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.