SCHEMBL16939624

SCHEMBL16939624

O=C(/C=C/c1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.72
▸ CYP1B1 Q16678 3/20 0.71
▸ CYP2D6 P10635 2/20 0.71
▸ CYP1A1 P04798 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ HSD17B3 P37058 1/20 0.69
▸ ATM Q13315 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ ALPG P10696 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ TLR9 Q9NR96 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ GPR55 Q9Y2T6 1/20 0.66

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
SCHEMBL30266685 1.00 RELA (0.72) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL13203572 0.97 CYP1B1 (0.71) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL15502075 0.92 LMNA (0.65) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL9893359 0.92 CYP1B1 (0.69) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL8735847 0.92 CYP1B1 (0.68) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL9893358 0.92 CYP1B1 (0.69) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL5873207 0.92 CYP1B1 (0.68) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL5873205 0.92 CYP1B1 (0.68) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL3061640 0.91 P4HB (0.76) RELACYP1B1CYP2D6CYP1A1CYP1A2
SCHEMBL3061638 0.91 P4HB (0.76) RELACYP1B1CYP2D6CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-07-08 — — US disclosed
WO-2019238091-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2019-12-19 — — WO disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 — — US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 — — US disclosed
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 — — US disclosed
US-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-07-30 — — 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 (3 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-20150214491-A1 NOVEL AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL SOLUTION, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO1A2 RELA 1850/4885CYP1B1 2650/4885CYP2D6 1716/4885
US-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF TET2, ZFX, ZFR RELA 4703/4885CYP1B1 1567/4885CYP2D6 1207/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 RELA 3528/4885CYP1B1 1817/4885CYP2D6 1844/4885

“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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