SCHEMBL24475593

SCHEMBL24475593

c1ccc2c(c1)cc(-c1ccc3ccc(-c4ccc5ccc(-c6cccc7ncccc67)nc5c4)cc3n1)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
ERN1 O75460 1/20 0.44
ACVR1 Q04771 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP11B1 P15538 1/20 0.40
FTO Q9C0B1 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
FYN P06241 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BPTF Q12830 1/20 0.39
ATR Q13535 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MAP4K1 Q92918 1/20 0.38
CNR2 P34972 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
SCHEMBL24475637 0.95 POLB (0.44) CYP3A4ERN1ACVR1CA12CA1
SCHEMBL22970370 0.93 ERN1 (0.45) CYP3A4ERN1ACVR1CA12CA1
SCHEMBL23016136 0.91 NPC1 (0.48) CYP3A4ERN1ACVR1CA12CA1
SCHEMBL24475575 0.91 CYP3A4 (0.47) CYP3A4ERN1ACVR1CA12CA1
SCHEMBL22970366 0.88 ERN1 (0.44) CYP3A4ERN1ACVR1CA12CA1
SCHEMBL24475654 0.88 CCR1 (0.40) CYP3A4CYP11B1ALDH1A1ATRNPC1
SCHEMBL24475494 0.88 ERN1 (0.44) CYP3A4ERN1ACVR1CA12CA1
SCHEMBL22281885 0.87 TOP1 (0.47) ERN1ACVR1FTOKDM5BKDM2A
SCHEMBL24475636 0.86 POLB (0.48) CYP3A4ERN1ACVR1CA12CA1
SCHEMBL22970361 0.86 ACVR1 (0.46) ERN1ACVR1CA12CA1CA2

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-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-06-02 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-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 CYP3A4 551/4885ERN1 2639/4885ACVR1 466/4885

“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.