SCHEMBL4756877

SCHEMBL4756877

CNC=CC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.63
RAB9A P51151 9/20 0.63
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NFKB1 P19838 3/20 0.63
NFKB2 Q00653 3/20 0.63
RELA Q04206 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
MAPT P10636 7/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPK1 P28482 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
RECQL P46063 2/20 0.55

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
SCHEMBL6308174 1.00 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL7739379 1.00 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL14305656 0.80 HTT (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL16437120 0.80 RAB9A (0.61) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL2954318 0.79 MAPT (0.70) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL11073619 0.79 MAPT (0.70) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL2954324 0.79 MAPT (0.70) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL14305666 0.79 ALDH1A1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL14313167 0.79 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL10966137 0.79 ALDH1A1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411045-B1 Process for production of optically active amino alcohols YOKOZAWA TOHRU (JP) 2008-01-16 EP claimed
US-6846957-B2 Synthesis of 3-aminomethyl-1-propanol, a fluoxetine precursor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-01-25 US claimed
US-20040102651-A1 Synthesis of 3-aminomethyl-1-propanol, a fluoxetine precursor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-05-27 US claimed
EP-1411045-B1 Process for production of optically active amino alcohols YOKOZAWA TOHRU (JP) 2008-01-16 EP disclosed
US-6984738-B2 Process for production of optically active amino alcohols YOKOZAWA TOHRU 2006-01-10 US disclosed
US-6846957-B2 Synthesis of 3-aminomethyl-1-propanol, a fluoxetine precursor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-01-25 US disclosed
US-6846957-B2 Synthesis of 3-aminomethyl-1-propanol, a fluoxetine precursor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-01-25 US disclosed
US-20040102651-A1 Synthesis of 3-aminomethyl-1-propanol, a fluoxetine precursor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-05-27 US disclosed
US-20040082794-A1 Process for production of optically active amino alcohols YOKOZAWA TOHRU (JP) 2004-04-29 US disclosed
EP-1411045-A1 Process for production of optically active amino alcohols Yokozawa, Tohru (JP) 2004-04-21 EP disclosed
EP-1182928-B1 METHOD FOR PRODUCING MICROBICIDAL SURFACES BY IMMOBILIZING INHERENTLY MICROBICIDALLY ACTIVE MACROMOLECULES CREAVIS TECH & INNOVATION GMBH (DE) 2002-11-20 EP disclosed
EP-1183291-A1 ANTIMICROBIAL COPOLYMERS Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2002-03-06 EP disclosed
EP-1183289-A1 METHOD FOR PRODUCING INHERENTLY MICROBICIDAL POLYMER SURFACES Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2002-03-06 EP disclosed
EP-1182928-A1 METHOD FOR PRODUCING MICROBICIDAL SURFACES BY IMMOBILIZING INHERENTLY MICROBICIDALLY ACTIVE MACROMOLECULES Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2002-03-06 EP disclosed
EP-1183293-A1 MICROBICIDAL COPOLYMERS Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2002-03-06 EP disclosed
WO-2000069936-A1 ANTIMICROBIAL COPOLYMERS CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2000-11-23 WO disclosed
WO-2000069934-A1 MICROBICIDAL COPOLYMERS CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2000-11-23 WO disclosed
WO-2000069933-A1 METHOD FOR PRODUCING INHERENTLY MICROBICIDAL POLYMER SURFACES CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2000-11-23 WO disclosed
WO-2000069264-A1 METHOD FOR PRODUCING MICROBICIDAL SURFACES BY IMMOBILIZING INHERENTLY MICROBICIDALLY ACTIVE MACROMOLECULES CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2000-11-23 WO disclosed
US-5939436-A Five-membered heteroaromatic compounds as dopamine receptor subtype ligands MERCK SHARP & DOHME LTD. (GB) 1999-08-17 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-20040082794-A1 Process for production of optically active amino alcohols ADH5, ADH1C, ADH1A NPC1 4203/4885RAB9A 1255/4885ALDH1A1 122/4885
US-20040102651-A1 Synthesis of 3-aminomethyl-1-propanol, a fluoxetine precursor TPH1, HTR1A, TPH2 NPC1 2642/4885RAB9A 4149/4885ALDH1A1 58/4885

“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.