SCHEMBL1742765

SCHEMBL1742765

COc1cc(CBr)cc(CBr)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CYP19A1 P11511 1/20 0.42
CALM1 P0DP23 5/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
AKR1B1 P15121 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PTGS2 P35354 1/20 0.38
PTPN1 P18031 1/20 0.38
NOS2 P35228 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL627823 0.95 ALDH1A1 (0.58) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL467237 0.92 ALDH1A1 (0.55) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10185738 0.91 PTGS2 (0.48) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1743718 0.89 DAO (0.46) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13074373 0.89 ALDH1A1 (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29774677 0.86 ALDH1A1 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1936578 0.86 TACR1 (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1346989 0.86 ALDH1A1 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31337521 0.85 CALM1 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29359230 0.84 CYP4F2 (0.41) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12320804-B2 Detection of cleavage activity of an enzyme MOLOGIC LIMITED (GB) 2025-06-03 US disclosed
US-20250157661-A1 MONITORING INFLAMMATION STATUS MOLOGIC LIMITED (GB) 2025-05-15 US disclosed
WO-2025001408-A1 PHOSPHORUS-CONTAINING OR SULFUR-CONTAINING MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2025-01-02 WO disclosed
WO-2024199069-A1 POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
WO-2024199063-A1 PHOSPHORUS OR SULFUR-CONTAINING MACROCYCLE AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
CN-118724916-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed
CN-118724963-A Macrocyclic compounds containing phosphorus or sulfur and use thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed
US-11953506-B2 Monitoring inflammation status MOLOGIC LIMITED (GB) 2024-04-09 US disclosed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 US disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 US disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 WO disclosed
EP-1813614-A1 Cytotoxic agents comprising new tomaymycin derivatives Sanofi-Aventis (FR) 2007-08-01 EP disclosed
EP-1813614-A1 Cytotoxic agents comprising new tomaymycin derivatives Sanofi-Aventis (FR) 2007-08-01 EP disclosed
US-20070037061-A1 Polymer electrolyte complex THE UNIVERSITY OF SHEFFIELD (GB) 2007-02-15 US disclosed
US-20070009805-A1 Polymer electrolyte THE UNIVERSITY OF SHEFFIELD (GB) 2007-01-11 US disclosed
US-20040181104-A1 Catalyst and process for alkyl group dehydrogenation of organic compounds ABB LUMMUS GLOBAL INC. 2004-09-16 US disclosed
US-20020115092-A1 Energy transfer labels with mechanically linked fluorophores THE SCRIPPS RESEARCH INSTITUTE 2002-08-22 US disclosed
WO-2002040701-A2 ENERGY TRANSFER LABELS WITH MECHANICALLY LINKED FLUOROPHORES THE SCRIPPS RESEARCH INSTITUTE (US) 2002-05-23 WO disclosed
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 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-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF CD47, ENPP2, CD2 ALDH1A1 4468/4885GRIN2D 4503/4885GRIN3B 3513/4885
US-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 900/4885GRIN2D 104/4885GRIN3B 66/4885
US-20040181104-A1 Catalyst and process for alkyl group dehydrogenation of organic compounds MCM4, AOC2, IDH2 ALDH1A1 736/4885GRIN2D 3120/4885GRIN3B 2947/4885

“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.