SCHEMBL512431

SCHEMBL512431

Fc1ccc(CBr)cc1.[MgH2]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
PTPN1 P18031 1/20 0.46
TAAR1 Q96RJ0 3/20 0.46
AGXT P21549 2/20 0.44
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAOB P27338 1/20 0.39
MIF P14174 1/20 0.39
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL5110 0.97
SCHEMBL15233233 0.97
SCHEMBL22165011 0.94 IDO1 (0.50) IDO1LOXL2TRPA1ALDH1A1TSHR
SCHEMBL1835628 0.94 IDO1 (0.50) IDO1LOXL2TRPA1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL26962946 0.94 IDO1 (0.50) IDO1LOXL2TRPA1ALDH1A1TSHR
SCHEMBL8015172 0.89 MAOB (0.52) IDO1LOXL2TRPA1ALDH1A1TSHR
Benzyl Bromide SCHEMBL28194850 0.87 ALDH1A1 (0.70) IDO1LOXL2TRPA1ALDH1A1TSHR
SCHEMBL8885030 0.83 NFE2L2 (0.54) IDO1
SCHEMBL3103451 0.83 IDO1 (0.41) IDO1LOXL2TRPA1ALDH1A1TSHR
SCHEMBL8885029 0.83 NFE2L2 (0.54) IDO1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 CN claimed
WO-2002048133-A2 A PROCESS FOR THE PREPARATION OF CITALOPRAM C.D. FARMASINT S.R.L. (IT) 2002-06-20 WO claimed
US-6384031-B1 None US disclosed
US-6392040-B1 None US disclosed
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 CN disclosed
US-20240360124-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2024-10-31 US disclosed
CN-118184703-A Synthesis method of alpha-substituted chiral phosphonate compound 中国人民解放军军事科学院防化研究院 2024-06-14 CN disclosed
US-20220017511-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2022-01-20 US disclosed
CN-109071534-B Bromodomain inhibitors 艾伯维公司 2021-11-23 CN disclosed
US-20200255426-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2020-08-13 US disclosed
EP-3693369-A2 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2020-08-12 EP disclosed
EP-1027342-A1 CYCLOPENTENE DERIVATIVES USEFUL AS ANTAGONISTS OF THE MOTILIN RECEPTOR Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-08-16 EP disclosed
US-5972939-A Cyclopentene derivatives useful as antagonists of the motilin receptor ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-26 US disclosed
WO-1999021846-A1 CYCLOPENTENE DERIVATIVES USEFUL AS ANTAGONISTS OF THE MOTILIN RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL INC. (US) 1999-05-06 WO disclosed
US-5097047-A Agricultural use, chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-5034052-A Fungicides containing a triazole or imidazole alcohols, also used as plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
US-4990677-A Fungicidal and plant growth-regulating azolylmethyl-cyclopropyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4988819-A 1,2,4-triazolemethyl ketones as chemical intermediates for plant growth regulators or fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4980488-A Fungicidal and plant growth-regulating azolymethyl-cyclopropyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
US-4913727-A Fungicidal and plant growth-regulating azolylmethyl-cyclopropyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 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-20220017511-A1 Bromodomain Inhibitors BRD4, BRD3, BRD1 IDO1 1434/4885LOXL2 4145/4885TRPA1 4350/4885
US-20200255426-A1 Bromodomain Inhibitors BRD4, BRD3, BRD1 IDO1 1434/4885LOXL2 4145/4885TRPA1 4350/4885
US-20240360124-A1 Bromodomain Inhibitors BRD4, BRD3, BRD1 IDO1 1434/4885LOXL2 4145/4885TRPA1 4350/4885

“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.