SCHEMBL23775701

SCHEMBL23775701

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6cccc7c8cc(-c9ccccc9-c9ccc(-c%10cccc(-c%11c%12ccccc%12c(-c%12ccc(-c%13cccc%14ccccc%13%14)c%13ccccc%12%13)c%12ccccc%11%12)c%10)s9)ccc8n(c5c4)c76)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PRKDC P78527 2/20 0.32
NTSR1 P30989 2/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL25514033 0.85 NTSR1 (0.36) CA12CA1CA2CA9NTSR1
SCHEMBL26222089 0.84 MCL1 (0.36) CA12CA1CA2CA9NTSR1
SCHEMBL23775943 0.84 HSD17B1 (0.33) PRKDCHSD17B1HSD17B2
SCHEMBL24211415 0.82 HSD17B1 (0.32) HSD17B1HSD17B2
SCHEMBL19863144 0.79 KDM4E (0.35) CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL19863137 0.79 FLT3 (0.36) CA12CA1CA2CA9CYP2C9
SCHEMBL19863141 0.79 CA12 (0.46) CA12CA1CA2CA9PRKDC
SCHEMBL21453589 0.78 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL15763553 0.78 CA12 (0.46) CA12CA1CA2CA9PRKDC
SCHEMBL21453596 0.76 FLT3 (0.36) CA12CA1CA2CA9

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-20210257550-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-08-19 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-20210257550-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CCNL2, CYBA, CYC1 CA12 1854/4885CA1 2776/4885CA2 1573/4885

“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.