SCHEMBL1885829

SCHEMBL1885829

NCCCNCCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
CXCR4 P61073 2/20 0.46
CASP2 P42575 2/20 0.44
CA12 O43570 2/20 0.44
F13A1 P00488 2/20 0.44
CA2 P00918 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
THPO P40225 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44

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
Norspermidine SCHEMBL28830161 0.96 ACE2 (0.50) ACE2CXCR4CASP2CA12F13A1
SCHEMBL8306593 0.94 ACE2 (0.57) ACE2CXCR4CA12CA2ALOX15
SCHEMBL5498811 0.92 ACE2 (0.61) ACE2CXCR4CASP2CA12F13A1
SCHEMBL15065607 0.90 CXCR4 (0.54) ACE2CXCR4ALOX15HSD17B10MEN1
SCHEMBL26398569 0.86 ACE2 (0.67) ACE2CASP2CA12F13A1CA2
SCHEMBL26522670 0.85 ACE2 (0.67) ACE2CXCR4CA12CA2ALOX15
SCHEMBL11580070 0.84 ACE2 (0.59) ACE2CXCR4CA12CA2ALOX15
SCHEMBL302850 0.84 ACE2 (0.72) ACE2CXCR4CA12CA2ALOX15
SCHEMBL15065509 0.84 CXCR4 (0.55) ACE2CXCR4ALOX15HSD17B10TSHR
SCHEMBL6961878 0.83 CXCR4 (0.56) ACE2CXCR4ALOX15HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER BASF SE (DE) 2013-05-16 US disclosed
US-20110105333-A1 Seed Treatment Compositions and Methods BASF SE (DE) 2011-05-05 US disclosed
US-4839175-A USING CHOLESTEROL DERIVATIVES; FOR OPTHALMIC DRUG DELIVERY LIPOSOME TECHNOLOGY, INC. (US) 1989-06-13 US disclosed
EP-0316345-A1 LIPOSOMES WITH ENHANCED RETENTION ON MUCOSAL TISSUE LIPOSOME TECHNOLOGY, INC. (US) 1989-05-24 EP disclosed
EP-0316345-A4 LIPOSOMES WITH ENHANCED RETENTION ON MUCOSAL TISSUE. LIPOSOME TECHNOLOGY INC (US) 1989-05-16 EP disclosed
US-4804539-A Ophthalmic liposomes LIPOSOME TECHNOLOGY, INC. (US) 1989-02-14 US disclosed
WO-1988000824-A1 LIPOSOMES WITH ENHANCED RETENTION ON MUCOSAL TISSUE LIPOSOME TECHNOLOGY, INC. (US) 1988-02-11 WO disclosed
US-4297516-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
US-RE30451-E ANTITUMOR AGENTS Zaidan Jojin Biseibutsu Kagaku Kenkyu Kai (JP) 1980-12-16 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-20110105333-A1 Seed Treatment Compositions and Methods PTK2, BROX, FYN ACE2 3031/4885CXCR4 4556/4885CASP2 4179/4885
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER NOS1, NOS3, NPSR1 ACE2 3472/4885CXCR4 2288/4885CASP2 3441/4885

“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.