SCHEMBL18031237

SCHEMBL18031237

C=COc1ccc(C(=O)OC)cc1OCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.46
▸ SMPD1 P17405 4/20 0.45
▸ MAPT P10636 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43

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
SCHEMBL16533400 0.83 MAPT (0.64) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL9544375 0.81 HPGD (0.63) PDE4DSMPD1MAPTHSD17B10HPGD
SCHEMBL18033077 0.81 MAPT (0.38) SMPD1MAPTHPGDKDM4EPOLB
SCHEMBL24984699 0.80 MAPT (0.64) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL8360925 0.80 SMPD1 (0.58) PDE4DSMPD1MAPTHPGDKDM4E
SCHEMBL17991551 0.79 TDP1 (0.54) PDE4DMAPTHSD17B10HPGDKDM4E
SCHEMBL4213761 0.79 MGLL (0.49) PDE4DSMPD1MAPTHSD17B10HPGD
SCHEMBL18031232 0.79 KDM4E (0.64) PDE4DSMPD1MAPTHSD17B10HPGD
SCHEMBL7335792 0.79 SMPD1 (0.64) SMPD1HPGDPDE4BMGLL
SCHEMBL17991554 0.79 MGLL (0.56) MAPTHSD17B10HPGDKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244460-A1 ANTIVIRAL COMPOUNDS Janssen Pharmaceuticals, Inc. 2016-08-25 — — 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 (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-20160244460-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PDE4D 1564/4885SMPD1 69/4885MAPT 4665/4885

“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.

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