SCHEMBL681577

SCHEMBL681577

CCCOc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
LTA4H P09960 2/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
DRD4 P21917 2/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
KMT2A Q03164 2/20 0.50
CHRNA7 P36544 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
PLK1 P53350 1/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL14134296 1.00 MAPT (0.60) MAPTLTA4HKDM4EALDH1A1CA12
SCHEMBL31000390 0.98 MAPT (0.58) MAPTLTA4HKDM4EALDH1A1CA12
SCHEMBL9155411 0.94 MAPT (0.55) MAPTLTA4HKDM4EALDH1A1CA12
Dimethylamine SCHEMBL6784757 0.94 MAPT (0.59) MAPTLTA4HKDM4EALDH1A1CA12
N-Propyl Bromide SCHEMBL9703833 0.94 MAPT (0.55) MAPTLTA4HKDM4EALDH1A1CA12
SCHEMBL916469 0.91 LTA4H (0.57) MAPTLTA4HKDM4EALDH1A1CA12
SCHEMBL7254241 0.89 MAPT (0.51) MAPTLTA4HKDM4EALDH1A1DRD4
SCHEMBL11578764 0.88 LTA4H (0.55) MAPTLTA4HKDM4EALDH1A1CA12
SCHEMBL31000372 0.88 LTA4H (0.55) MAPTLTA4HKDM4EALDH1A1CA12
SCHEMBL13845316 0.88 APP (0.62) MAPTLTA4HCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105872-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2023-11-24 CN claimed
CN-104892598-A A 1,10-fenanthrolin derivative, a preparing method thereof and applications of the derivative UNIV NANJING INF SCI & TECH 2015-09-09 CN claimed
CN-104163824-A Gold-{2-(9-anthracene phenyl)dicyclohexylphosphine}-acetonitrile complex synthesis and application thereof UNIV NANKAI 2014-11-26 CN claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
US-12478621-B2 Substituted aminoquinolones as dgkalpha inhibitors for immune activation DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2025-11-25 US disclosed
CN-115210239-B Aromatic compound, organic semiconductor layer, and organic thin film transistor 东曹株式会社 2025-04-11 CN disclosed
CN-119564686-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-03-07 CN disclosed
CN-119546609-A Process for preparing 3, 6-disubstituted-imidazo [1,2-b ] pyridazine compounds 葆元生物医药科技(杭州)有限公司 2025-02-28 CN disclosed
CN-119523983-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-02-28 CN disclosed
CN-119424429-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-02-14 CN disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
CN-115003665-B DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2024-11-08 CN disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO disclosed
EP-0571770-B1 Method for producing an asymmetric biaryl derivative IHARA CHEMICAL IND CO (JP) 1996-07-10 EP disclosed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US disclosed
CN-1084515-A Phenyl sulfamoyl endothelium (endothelin) antagonistic SQUIBB & SONS INC (US) 1994-03-30 CN disclosed
EP-0571770-A1 Method for producing an asymmetric biaryl derivative IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-12-01 EP disclosed
CN-1021445-C PROCESS FOR PREPARATION OF STEROIDS INCLUDING A SPIRO RING IN POSITION 17 ROUSSEL UCLAF (FR) 1993-06-30 CN disclosed
CN-87103193-A Steroid compounds containing a spiro ring in position 17, process and intermediates for their production, their use as medicaments and pharmaceutical compositions containing them 1988-01-13 CN 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-12478621-B2 Substituted aminoquinolones as dgkalpha inhibitors for immune activation DGKK, DGKG, DGKA MAPT 4812/4885LTA4H 955/4885KDM4E 1315/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MAPT 1809/4885LTA4H 4516/4885KDM4E 3586/4885

“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.