SCHEMBL25613394

SCHEMBL25613394

C=C(/C=C\C=C/C)N(c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GABBR2 O75899 1/20 0.32
▸ GABBR1 Q9UBS5 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL22814367 0.88 — —
SCHEMBL26442696 0.88 ALDH1A1 (0.40) ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL25733615 0.88 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13709429 0.85 ALDH1A1 (0.36) ALDH1A1LMNATP53NR1H4MEN1
SCHEMBL17246801 0.84 CYP3A4 (0.33) ALDH1A1HTT
SCHEMBL22643654 0.82 NPSR1 (0.38) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL12957651 0.82 HSD17B1 (0.33) ALDH1A1HTT
SCHEMBL20209041 0.81 KDM4E (0.33) ALDH1A1LMNATP53SMN1; SMN2TSHR
SCHEMBL12557782 0.80 ALDH1A1 (0.35) ALDH1A1LMNANR1H4MEN1KMT2A
SCHEMBL14541392 0.80 — —

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-11678576-B2 Heterocyclic compound and organic light emitting element comprising same LT MATERIALS CO., LTD. (KR) 2023-06-13 — — 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-11678576-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, CYP1A1 ALDH1A1 15/4885LMNA 3451/4885TP53 3405/4885

“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.

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