SCHEMBL5848845

SCHEMBL5848845

COc1ccc(C2=CCC(c3ccccc3)(c3ccc(OC)cc3)C=C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.44
OPRL1 P41146 5/20 0.44
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CA4 P22748 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL28339120 0.83 OPRM1 (0.41) OPRM1OPRL1TRPA1KDM4EHPGD
SCHEMBL6709171 0.81 CYP3A4 (0.38) KDM4EHPGDNPC1RAB9AMAPT
SCHEMBL9778611 0.81 OPRM1 (0.39) OPRM1OPRL1TRPA1KDM4EHPGD
SCHEMBL6750487 0.78 MAOA (0.45) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL7169779 0.76 HSD17B10 (0.39) KDM4EHPGDNPC1RAB9AMAPT
SCHEMBL21627243 0.75 NOTUM (0.38) NPC1RAB9AMAPTLMNANPSR1
SCHEMBL14150217 0.73 NOTUM (0.39) NPC1RAB9AMAPTLMNANPSR1
SCHEMBL27974316 0.71 ABL1 (0.47) KDM4EHPGDNPC1RAB9AMAPT
SCHEMBL5555387 0.71 OPRM1 (0.35) OPRM1OPRL1TRPA1KDM4EHPGD
SCHEMBL13814867 0.71 GAA (0.35) KDM4EHPGDMAPTMAPK1KMT2A

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-20060111593-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-25 US disclosed
US-7041856-B2 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-09 US disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 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 (2 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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 OPRM1 127/4885OPRL1 722/4885TRPA1 2429/4885
US-20060111593-A1 Coupling catalyst and process using the same RPL22, C9, RBM22 OPRM1 339/4885OPRL1 585/4885TRPA1 2236/4885

“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.