SCHEMBL5873207

SCHEMBL5873207

O=C(C=Cc1cccc(Br)c1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 4/20 0.68
▸ MAOB P27338 4/20 0.68
▸ MAPT P10636 3/20 0.68
▸ BCHE P06276 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ PLIN1 O60240 1/20 0.68
▸ TNFRSF1A P19438 1/20 0.68
▸ ACHE P22303 1/20 0.68
▸ RECQL P46063 1/20 0.68
▸ PLIN5 Q00G26 1/20 0.68
▸ ABHD5 Q8WTS1 1/20 0.68
▸ HDAC3 O15379 1/20 0.68
▸ HDAC4 P56524 1/20 0.68
▸ HDAC1 Q13547 1/20 0.68
▸ HDAC7 Q8WUI4 1/20 0.68
▸ HDAC2 Q92769 1/20 0.68
▸ HDAC10 Q969S8 1/20 0.68
▸ HDAC11 Q96DB2 1/20 0.68
▸ HDAC8 Q9BY41 1/20 0.68
▸ HDAC6 Q9UBN7 1/20 0.68

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
SCHEMBL8735847 1.00 CYP1B1 (0.68) CYP1B1MAOBMAPTBCHELMNA
SCHEMBL5873205 1.00 CYP1B1 (0.68) CYP1B1MAOBMAPTBCHELMNA
SCHEMBL30266685 0.92 RELA (0.72) CYP1B1MAOBMAPTLMNAHDAC3
SCHEMBL16939624 0.92 RELA (0.72) CYP1B1MAOBMAPTLMNAHDAC3
SCHEMBL2649169 0.91 CYP1B1 (0.65) CYP1B1MAOBMAPTBCHELMNA
SCHEMBL19397672 0.91 CYP1B1 (0.65) CYP1B1MAOBMAPTBCHELMNA
SCHEMBL1801640 0.90 CYP1B1 (0.73) CYP1B1MAOBMAPTHDAC3HDAC4
SCHEMBL9893358 0.90 CYP1B1 (0.69) CYP1B1MAOBMAPTBCHELMNA
SCHEMBL1801639 0.90 CYP1B1 (0.73) CYP1B1MAOBMAPTHDAC3HDAC4
SCHEMBL9893359 0.90 CYP1B1 (0.69) CYP1B1MAOBMAPTBCHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-15 — — US disclosed
CN-114702460-A Method for synthesizing 2H-1, 3-oxazine compound by using microchannel reaction device 南京工业大学 2022-07-05 — — CN disclosed
CN-112094226-B Nitrogen-containing compound, electronic component, and electronic device 陕西莱特迈思光电材料有限公司 2022-03-11 — — CN disclosed
WO-2022045325-A1 CARBAZOLE COMPOUND, AND FUNCTIONAL MATERIAL AND LIGHT EMITTING ELEMENT THAT INCLUDE SAME 平賀 靖英 2022-03-03 — — WO disclosed
WO-2022042267-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE 陕西莱特迈思光电材料有限公司 2022-03-03 — — WO disclosed
CN-112094226-A Nitrogen-containing compound, electronic component, and electronic device 陕西莱特迈思光电材料有限公司 2020-12-18 — — CN disclosed
US-7067702-B2 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY (US) 2006-06-27 — — US disclosed
US-20060069288-A1 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY 2006-03-30 — — US disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 — — 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 (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-20060069288-A1 Process for preparing vinyl substituted beta-diketones VRK1, VRK2, DEK CYP1B1 996/4885MAOB 1616/4885MAPT 4054/4885
US-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE CNOT1, NXF1, NR2E1 CYP1B1 819/4885MAOB 1798/4885MAPT 3372/4885

“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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