SCHEMBL17244786

SCHEMBL17244786

CCCCCCCCCC1(CCCCCCCC)c2cc(-c3sccc3C(=O)OC)ccc2-c2cc3c(cc21)-c1ccc(-c2sccc2C(=O)OC)cc1C3(CCCCCCCC)CCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTPN11 Q06124 3/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL15594578 1.00 CNR1 (0.42) CNR1CNR2KDM4ECYP1A2CYP2D6
SCHEMBL15249153 0.85 PTPN11 (0.42) PTPN11PTPN1
SCHEMBL15249156 0.85 PDK2 (0.35) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL15249155 0.84 PTPN11 (0.34) CNR1CNR2PTPN11LTB4R2
SCHEMBL17244785 0.81 KDM4E (0.43) CNR2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL1685330 0.79 CNR1 (0.44) CNR1CNR2KDM4ECYP1A2CYP2D6
SCHEMBL134767 0.79 SLC6A3 (0.50) CNR1CNR2PTPN11ROCK2CSF1R
SCHEMBL13688228 0.79 CNR1 (0.44) CNR1CNR2KDM4ECYP1A2CYP2D6
SCHEMBL15836305 0.78 CNR1 (0.43) CNR1CNR2KDM4ECYP1A2CYP2D6
SCHEMBL15836306 0.75 SLC6A3 (0.46) CNR1CNR2KDM4ECYP1A2CYP2D6

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-20150322208-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2015-11-12 — — US disclosed
US-20150322208-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2015-11-12 — — 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-20150322208-A1 CONJUGATED POLYMERS EED, OCIAD2, PARG CNR1 4174/4885CNR2 3897/4885KDM4E 1202/4885

“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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