Isopropylamine

Isopropylamine

SCHEMBL2177330

CC(C)N.O=[PH](O)c1ccccc1-c1ccccc1O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
BCL2L1 Q07817 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN1 P18031 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
IKBKB O14920 2/20 0.33
MCL1 Q07820 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BCL2 P10415 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
KDR P35968 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL822716 0.89 ALDH1A1 (0.43) ALDH1A1HPGDBCL2L1HSD17B10PTPN1
SCHEMBL23280616 0.83 ADORA2A (0.36) ADORA2AALDH1A1HPGDBCL2L1HSD17B10
Allylamine SCHEMBL2187513 0.79 HPGD (0.34) ALDH1A1HPGDBCL2L1HSD17B10GABRA1
SCHEMBL20072741 0.79 HPGD (0.38) ADORA2AALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL12284074 0.76 HPGD (0.41) ALDH1A1HPGDBCL2L1HSD17B10PTPN1
SCHEMBL811780 0.75 MAOA (0.39) ALDH1A1HPGDBCL2L1HSD17B10PTPN1
SCHEMBL24925079 0.74 HDAC4 (0.46) ALDH1A1HPGDHSD17B10SMN1; SMN2MCL1
SCHEMBL20460718 0.73 ALDH1A1 (0.37) ADORA2AALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL27297316 0.72 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10SMN1; SMN2MEN1
1-Methylimidazole SCHEMBL1082661 0.72 NFKB1 (0.40) ALDH1A1HPGDHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973191-B2 Method for the production of dibenz[c,e] [1,2]-oxaphosphorin derivatives, amino-dibenz[c,e] [1,2]-oxaphosphorin and also use thereof EMS-PATENT AG (CH) 2011-07-05 US disclosed
US-20100069657-A1 METHOD FOR THE PRODUCTION OF DIBENZ[C,E] [1,2]-OXAPHOSPHORIN DERIVATIVES, AMINO-DIBENZ[C,E] [1,2]-OXAPHOSPHORIN AND ALSO USE THEREOF EMS-PATENT AG (CH) 2010-03-18 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-20100069657-A1 METHOD FOR THE PRODUCTION OF DIBENZ[C,E] [1,2]-OXAPHOSPHORIN DERIVATIVES, AMINO-DIBENZ[C,E] [1,2]-OXAPHOSPHORIN AND ALSO USE THEREOF PFAS, PNP, PNPO ADORA2A 443/4885ALDH1A1 1291/4885HPGD 1536/4885

“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.