SCHEMBL9893359

SCHEMBL9893359

O=C(C=Cc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 4/20 0.69
▸ MAPT P10636 4/20 0.69
▸ LMNA P02545 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ CYP1A2 P05177 2/20 0.69
▸ ATM Q13315 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ ALPG P10696 1/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.69
▸ TLR9 Q9NR96 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ CYP1A1 P04798 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ MAOB P27338 5/20 0.68
▸ PLIN1 O60240 1/20 0.68
▸ BCHE P06276 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
SCHEMBL9893358 1.00 CYP1B1 (0.69) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL30266685 0.92 RELA (0.72) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL16939624 0.92 RELA (0.72) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL13203572 0.92 CYP1B1 (0.71) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL2649171 0.91 MAPT (0.67) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL13776894 0.91 MAPT (0.67) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL1797521 0.90 P4HB (0.77) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL5873205 0.90 CYP1B1 (0.68) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL8735847 0.90 CYP1B1 (0.68) CYP1B1MAPTLMNAKMT2AMEN1
SCHEMBL5873207 0.90 CYP1B1 (0.68) CYP1B1MAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072536-B Method for preparing 2-phenyl-3-benzoyl benzodihydrogen selenium substituted pyridine compound without metal catalysis 浙江农林大学暨阳学院 2021-11-23 — — CN disclosed
CN-113461501-A Green method for high-selectivity synthesis of chalcone compounds 温州大学 2021-10-01 — — CN disclosed
CN-113072536-A Method for preparing 2-phenyl-3-benzoyl benzodihydrogen selenium substituted pyridine compound without metal catalysis 浙江农林大学暨阳学院 2021-07-06 — — CN disclosed
US-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 — — US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 — — US disclosed
EP-2651904-B1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2014-11-12 — — EP disclosed
EP-2651904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2013-10-23 — — EP disclosed
WO-2013022951-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-02-14 — — WO disclosed
US-8362246-B2 Bispyrimidines for electronic applications BASF SE (DE) 2013-01-29 — — US disclosed
WO-2012080052-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-06-21 — — WO disclosed
US-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-06-14 — — 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-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS DPYD, TYMP, TYMS CYP1B1 777/4885MAPT 1242/4885LMNA 3854/4885
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF FABP1, GYS2, CYP7B1 CYP1B1 174/4885MAPT 4070/4885LMNA 2666/4885

“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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