SCHEMBL18958331

SCHEMBL18958331

Brc1ccc2c(c1)c1cccnc1n2-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.38
MCL1 Q07820 2/20 0.36
CYP19A1 P11511 1/20 0.36
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
PDE4B Q07343 3/20 0.34
KMT2A Q03164 1/20 0.34
FEN1 P39748 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL17349675 0.97 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19LMNAMCL1
SCHEMBL17349018 0.92 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19LMNAMCL1
SCHEMBL17349150 0.92 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19LMNAGLA
SCHEMBL17349207 0.91 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19LMNAMCL1
SCHEMBL17349193 0.91 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19LMNAMCL1
SCHEMBL18958328 0.90 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19LMNAGLA
SCHEMBL17348952 0.90 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19DCTPP1PDE4B
SCHEMBL17349030 0.89 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19LMNAGLA
SCHEMBL17349622 0.88 GRM5 (0.37) ALDH1A1TSHRCYP2C19LMNAGLA
SCHEMBL17349102 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19LMNAMCL1

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-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 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-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885

“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.