SCHEMBL6557459

SCHEMBL6557459

COc1ccc(CCC(C)Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TAAR1 Q96RJ0 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
SLC6A4 P31645 1/20 0.50
AOC3 Q16853 1/20 0.49
CALM1 P0DP23 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL11602458 0.86 HTT (0.56) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL879606 0.83 HTT (0.62) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL8077730 0.82 HTT (0.53) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL13695046 0.81 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2942342 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL8975067 0.80 SLC6A4 (0.66) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL6555827 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL2238188 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL29657236 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL28851988 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1138666-B1 A preparation method for 4-(P-methoxyphenyl)-2-amino-butane and an insecticidal composition comprising it COUNCIL SCIENT IND RES (IN) 2004-03-03 EP disclosed
US-6441205-B1 4-(P-METHOXYPHENYL)-2-AMINOBUTANE EXHIBITING GROWTH INHIBITION AND ANTIFEEDANT ACTIVITY AGAINST LARVAE; INSECTICIDE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-08-27 US disclosed
US-20020049353-A1 Synthetic precursors to 4-(P-methoxyphenyl)-2-amino-butane COUNSEL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-04-25 US disclosed
EP-1138666-A1 A preparation method for 4-(P-methoxyphenyl)-2-amino-butane and an insecticidal composition comprising it Council of Scientific and Industrial Research (IN) 2001-10-04 EP disclosed
US-6252114-B1 TREATING THE ISOLATED PLANT EXTRACT 4-(P-HYDROXYPHENYL)-BUTAN-2-OL WITH MINERAL ACID TO OBTAIN CORRESPONDING PHENOLIC HALIDE, O-METHYLATION OF THE PHENOL, CONVERTING HALIDE TO AZIDE WITH SUBSEQUENT CATALYTIC HYDROGENATION TO AN AMINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-06-26 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 (1 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-20020049353-A1 Synthetic precursors to 4-(P-methoxyphenyl)-2-amino-butane IL4, CASP4, PA2G4 HTT 4875/4885SMN1; SMN2 1498/4885TAAR1 831/4885

“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.