SCHEMBL21156142

SCHEMBL21156142

C=Cc1cc(-c2cc(OC)c(OC)c(OC)c2)cn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.40
▸ BRD4 O60885 4/20 0.39
▸ BRD9 Q9H8M2 4/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD7 Q9NPI1 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TUBB4A P04350 3/20 0.36
▸ TUBB P07437 3/20 0.36
▸ TUBA3C P0DPH7 3/20 0.36
▸ TUBA1B P68363 3/20 0.36

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
SCHEMBL21157358 0.72 BRD4 (0.56) ERN1BRD4BRD9KDM4ETSHR
SCHEMBL721861 0.72 ACHE (0.65) ERN1BRD4KDM4EALDH1A1L3MBTL1
SCHEMBL19296414 0.69 CA12 (0.51) ERN1KDM4EALDH1A1HPGDCA9
SCHEMBL5613600 0.67 CYP1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10ACHE
Methoxymethane SCHEMBL28663754 0.65 CYP1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL16726621 0.63 — —
SCHEMBL17666196 0.63 ERN1 (0.67) ERN1KDM4EALDH1A1L3MBTL1HPGD
Butadiene SCHEMBL27722638 0.62 FYN (0.46) ERN1BRD4KDM4EALDH1A1L3MBTL1
SCHEMBL23134699 0.62 BRD4 (0.68) BRD4BRD9BRD2BRD7
SCHEMBL21156118 0.61 — —

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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 — — US disclosed
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 — — 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 (2 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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 ERN1 3628/4885BRD4 151/4885BRD9 653/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ERN1 3628/4885BRD4 151/4885BRD9 653/4885

“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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