SCHEMBL19009893

SCHEMBL19009893

Cc1cc2c(C(C)C)c3ccccc3c(C(C)C)c2nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
DHFR P00374 1/20 0.35
CYP1A2 P05177 3/20 0.34
LDHA P00338 2/20 0.33
LDHB P07195 1/20 0.33
BACE1 P56817 1/20 0.33
CYP2A6 P11509 3/20 0.32
GPR3 P46089 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
UHRF1 Q96T88 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.32
CCR1 P32246 1/20 0.32
CCR8 P51685 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
SCHEMBL24858851 0.74 GPR3 (0.43) CYP1A2BACE1CYP2A6GPR3OPRM1
SCHEMBL29986530 0.72 GPR3 (0.42) CYP1A2BACE1CYP2A6GPR3OPRM1
SCHEMBL31275382 0.72 GPR3 (0.42) LMNACYP1A2BACE1CYP2A6GPR3
SCHEMBL29053723 0.72 KIF11 (0.41) LMNACYP1A2CYP2A6GPR3KDM4E
SCHEMBL19009892 0.69 LMNA (0.47) LMNADHFRCYP1A2KDM4EHTT
SCHEMBL23119496 0.68 CYP2A6 (0.52) LMNACYP1A2CYP2A6KDM4EMAPT
SCHEMBL3874965 0.68 KDM4E (0.42) LMNACYP1A2KDM4EMAPTHTT
SCHEMBL15706275 0.67 L3MBTL1 (0.53) CYP1A2CYP2A6KDM4EMAPTATM
SCHEMBL40806 0.66 ALDH1A1 (0.44) CYP1A2CYP2A6KDM4EALDH1A1KMT2A
SCHEMBL2126761 0.66 CYP1A2 (0.56) CYP1A2CYP2A6MAPTATMALDH1A1

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-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF JNC CORPORATION (JP) 2017-06-22 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-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF RCC1, CHRM1, PFN1 LMNA 432/4885PDE1A 2005/4885PDE1B 2439/4885

“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.