SCHEMBL19009892

SCHEMBL19009892

Cc1cc2c(C(C)C)ccc(C(C)C)c2nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
GPR55 Q9Y2T6 3/20 0.45
DHFR P00374 1/20 0.37
CNR2 P34972 2/20 0.36
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL24915591 0.74 DHFR (0.48) LMNAGPR55DHFRCNR2SLC6A2
SCHEMBL3874965 0.71 KDM4E (0.42) LMNASMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL18649042 0.70 LMNA (0.35) LMNADHFRTRPA1CHRM1SLC6A2
SCHEMBL19009893 0.69 LMNA (0.37) LMNADHFRSMN1; SMN2KDM4EALDH1A1
SCHEMBL25952263 0.67 DHFR (0.36) LMNAGPR55DHFRKDM4ETDP1
SCHEMBL24204426 0.67 DHFR (0.36) LMNAGPR55DHFRCNR2TRPA1
SCHEMBL12316308 0.67 LMNA (0.33) LMNADHFRTRPA1CHRM1SLC6A2
SCHEMBL24858851 0.65 GPR3 (0.43) SMN1; SMN2KDM4EALDH1A1POLBRAD52
SCHEMBL20285964 0.65 LMNA (0.40) LMNADHFRSMN1; SMN2ALDH1A1
SCHEMBL20412811 0.65 CCR1 (0.37) LMNASMN1; SMN2KDM4EALDH1A1POLB

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 432/4885GPR55 3928/4885DHFR 4481/4885

“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.