SCHEMBL21676

SCHEMBL21676

CCCN(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TAAR1 Q96RJ0 3/20 0.44
TP53 P04637 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL3205919 0.98 CA12 (0.44) CA12CA2CA9TAAR1TP53
Hydrochloric Acid SCHEMBL27301016 0.98 CA12 (0.44) CA12CA2CA9TAAR1TP53
SCHEMBL11044440 0.87 CA12 (0.50) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL96161 0.86 MAPT (0.55) CA12CA2CA9TAAR1TP53
SCHEMBL94623 0.84 NPC1 (0.49) CA12CA2CA9SIGMAR1MAPT
Hydrochloric Acid SCHEMBL8801549 0.84 MAPT (0.53) CA12CA2CA9TAAR1TP53
Ammonia Solution, Strong SCHEMBL11366087 0.84 MAPT (0.53) CA12CA2CA9TAAR1TP53
SCHEMBL13481182 0.83 ALDH1A1 (0.48) TAAR1SIGMAR1HTTTSHRALDH1A1
SCHEMBL6501802 0.82 NPC1 (0.51) SIGMAR1MAPTTRPV1
SCHEMBL94910 0.82 NPC1 (0.51) SIGMAR1MAPTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119233997-A Tetrahedral antibodies 生物分子控股有限责任公司 2024-12-31 CN claimed
EP-4463485-A2 TETRAHEDRAL ANTIBODIES Biomolecular Holdings LLC (US) 2024-11-20 EP claimed
CN-113109417-B Ion mobility spectrometer for rapidly detecting icetoxin in presence of nicotine 中国科学院合肥物质科学研究院 2024-07-05 CN claimed
US-20230364224-A1 Pharmaceutical Composition For Allergen Specific Immunotherapy HOPITAUX UNIVERSITAIRES DE GENEVE (CH) 2023-11-16 US claimed
EP-4213873-A1 COMPOSITE SOLDER BALLS METALLISED ON THE SURFACE AND CALIBRATED FOR THE ASSEMBLY OF ELECTRONIC BOARDS Hopitaux Universitaires de Genève (CH) 2023-07-26 EP claimed
WO-2023137373-A1 TETRAHEDRAL ANTIBODIES BIOMOLECULAR HOLDINGS LLC (US) 2023-07-20 WO claimed
WO-2023137387-A2 TETRAHEDRAL ANTIBODIES BIOMOLECULAR HOLDINGS LLC (US) 2023-07-20 WO claimed
US-20230220116-A1 TETRAHEDRAL ANTIBODIES BIOMOLECULAR HOLDINGS LLC (US) 2023-07-13 US claimed
US-20230220115-A1 TETRAHEDRAL ANTIBODIES BIOMOLECULAR HOLDINGS LLC (US) 2023-07-13 US claimed
EP-4178615-A1 TETRAHEDRAL ANTIBODIES Biomolecular Holdings LLC (US) 2023-05-17 EP claimed
CN-1225452-C Prepn. of (+)-trans-chrysanthemic acid SUMITOMO CHEMICAL CO (JP) 2005-11-02 CN claimed
WO-2004018368-A1 SYNERGISTIC BIOCIDAL MIXTURES HERCULES INCORPORATED (US) 2004-03-04 WO claimed
US-20040035803-A1 Synergistic biocidal mixtures SOLENIS TECHNOLOGIES, L.P. 2004-02-26 US claimed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US claimed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US claimed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO claimed
CN-1298862-A Prepn. of (+)-trans-chrysanthemic acid SUMITOMO CHEMICAL CO (JP) 2001-06-13 CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
US-4857657-A Preparation of hexenedioic acid diesters RHONE-POULENC CHIMIE (FR) 1989-08-15 US claimed

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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 CA12 4317/4885CA2 3523/4885CA9 3104/4885
US-20230220115-A1 TETRAHEDRAL ANTIBODIES FCGR3B, FCGR2A, FCGR1A CA12 82/4885CA2 1408/4885CA9 801/4885
US-20230220116-A1 TETRAHEDRAL ANTIBODIES FCGR3B, FCGR2A, FCGR1A CA12 82/4885CA2 1408/4885CA9 801/4885

“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.