SCHEMBL17280952

SCHEMBL17280952

Cc1nc(CCn2c3ccccc3c3ccccc32)c(C)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
FABP3 P05413 1/20 0.40
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
ACHE P22303 3/20 0.40
BCHE P06276 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
AGER Q15109 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL17280950 0.86 CYP1A2 (0.40) GPR3CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL17280948 0.83 CYP1A2 (0.44) GPR3CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL17280951 0.81 KDM4E (0.42) GPR3CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL17280953 0.80 CYP1A2 (0.44) GPR3CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL17280954 0.80 CYP1A2 (0.44) GPR3CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL17280946 0.73 CYP1A2 (0.44) GPR3CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL18364643 0.72 MAPT (0.52) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL17280947 0.71 CYP1A2 (0.45) GPR3CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL9768532 0.70 CYP1A2 (0.70) GPR3CYP1A2CYP2C19KDM4EFABP4
SCHEMBL17150144 0.67 P2RX4 (0.57) CYP1A2CYP2C19KDM4EALDH1A1FABP4

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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES ESR1, EPX, SDHB GPR3 4399/4885CYP1A2 282/4885CYP2C19 67/4885

“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.