SCHEMBL25742318

SCHEMBL25742318

COc1cccc2oc3c(B(O)O)cccc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.55
▸ ENPP2 Q13822 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ORAI1 Q96D31 1/20 0.44
▸ ORAI2 Q96SN7 1/20 0.44
▸ ORAI3 Q9BRQ5 1/20 0.44
▸ EDNRA P25101 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ANTXR2 P58335 1/20 0.43
▸ NQO1 P15559 1/20 0.42
▸ CYP2A6 P11509 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL21042330 0.84 MAOA (0.40) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL23783951 0.80 ESR2 (0.41) MAOAESR2ANTXR2CYP2A6TP53
SCHEMBL19802278 0.79 AHR (0.50) MAOACYP2A6
SCHEMBL22908125 0.79 MAOA (0.41) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL22390212 0.79 MAOA (0.36) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL25217482 0.79 MAOA (0.52) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL30392062 0.78 ALOX5 (0.46) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL8686 0.78 ALOX5 (0.46) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL24481481 0.76 MAOA (0.53) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL5026754 0.75 MAOA (0.74) MAOAALDH1A1KDM4ENPC1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276706-A1 NOVEL HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DIODE INCLUDING SAME SFC CO., LTD. (KR) 2023-08-31 — — US disclosed
US-20230276706-A1 NOVEL HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DIODE INCLUDING SAME SFC CO., LTD. (KR) 2023-08-31 — — US disclosed
EP-4190771-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC Co., Ltd. (KR) 2023-06-07 — — EP 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-20230276706-A1 NOVEL HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DIODE INCLUDING SAME CYBA, CYP1B1, PPOX MAOA 248/4885ENPP2 3842/4885ALDH1A1 30/4885

“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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