SCHEMBL6899291

SCHEMBL6899291

CCNCCCNCCCNCCCCNCCCNCCCNCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 1.00
CYP1A2 P05177 3/20 1.00
MEN1 O00255 2/20 0.93
KMT2A Q03164 2/20 0.93
GLA P06280 1/20 0.93
KDM1A O60341 5/20 0.65
TSHR P16473 3/20 0.65
SAT1 P21673 3/20 0.62
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.47
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
CA3 P07451 2/20 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
SCHEMBL7871599 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL4157457 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL4171429 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL10045117 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
Bis(Ethyl)Spermine SCHEMBL7092466 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL4167237 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL2529872 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL10045203 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA
Bis(Ethyl)Spermine SCHEMBL8526460 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL10045209 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38417-E1 Anti-neoplastic, anti-viral or anti-retroviral spermine derivatives UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2004-02-03 US disclosed
US-20020094990-A1 Anti-neoplastic, anti-viral or anti-retroviral spermine derivatives BERGERON RAYMOND J (US) 2002-07-18 US disclosed
US-6362232-B1 SKIN DISORERS; INSECTICIDES BERGERON RAYMOND J (US) 2002-03-26 US disclosed
US-6147262-A ANTIPROLIFERATIVE AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2000-11-14 US disclosed
US-6034139-A POLYAMINE COMPOUND UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2000-03-07 US disclosed
US-5866613-A Anti-neoplastic, anti-viral or anti-retroviral spermine derivatives UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1999-02-02 US disclosed
US-5827894-A ANTITUMOR AGENTS, ANTIGROWTH AGENTS FOR TREATMENT OF PSORIASIS, INSECTICIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1998-10-27 US disclosed
US-5681837-A MOSQUITO INSECTICIDAL COMPOSITION UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1997-10-28 US disclosed
US-5679682-A ADMINISTERING SPERMINE DERIVATIVE; MOSQUITO GROWTH CONTROLLER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1997-10-21 US disclosed
US-5455277-A Anti-neoplastic, anti-viral or anti-retroviral spermine derivatives UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1995-10-03 US disclosed
US-5342945-A Bis-hexahydropyrimidinylakyl compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1994-08-30 US disclosed
US-5091576-A Antipsoriasis, insecticides UNIVERSITY OF FLORIDA (US) 1992-02-25 US disclosed
EP-0349224-A2 Anti-neoplastic, anti-viral or anti-retroviral spermine derivatives THE UNIVERSITY OF FLORIDA (US) 1990-01-03 EP 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-20020094990-A1 Anti-neoplastic, anti-viral or anti-retroviral spermine derivatives SRM, SMS, SMOX CYP2C19 4856/4885CYP1A2 4291/4885MEN1 538/4885

“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.