SCHEMBL9971880

SCHEMBL9971880

CC(C)C(C)CCCC(C)(C)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNH3 Q9ULD8 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL10301504 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EKCNH3
SCHEMBL13241915 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EKCNH3
SCHEMBL6549892 0.86 ALDH1A1 (0.47) ALDH1A1
SCHEMBL6550392 0.86 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4373923 0.86 ALDH1A1 (0.47) ALDH1A1
SCHEMBL2045447 0.81 RIPK1 (0.32)
SCHEMBL13602495 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EKCNH3
SCHEMBL10041431 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EKCNH3
SCHEMBL10041430 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EKCNH3
SCHEMBL28044234 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993547-B2 3-desoxy-2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-03-31 US disclosed
US-8785422-B2 A-ring modified 19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-22 US disclosed
US-8729054-B2 3-desoxy-2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-05-20 US disclosed
US-20140045860-A1 SMALL MOLECULE INHIBITORS FOR TREATING PARASITIC INFECTIONS NEW YORK UNIVERSITY (US) 2014-02-13 US disclosed
US-8518917-B2 2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-08-27 US disclosed
US-8455467-B2 2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-06-04 US disclosed
US-20130102567-A1 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-20130102573-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-20130102574-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-8410080-B1 2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 US disclosed
US-8410080-B1 2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 US disclosed
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-20 US disclosed
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20080249068-A1 Method of Extending the Dose Range of Vitamin D Compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-10-09 US disclosed
US-7259143-B2 Method of extending the dose range of vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-21 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 (7 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-20140045860-A1 SMALL MOLECULE INHIBITORS FOR TREATING PARASITIC INFECTIONS CYP51A1, GDI1, GDI2 ALDH1A1 636/4885MEN1 1963/4885KMT2A 2160/4885
US-20080249068-A1 Method of Extending the Dose Range of Vitamin D Compounds VDR, CASK, CYP24A1 ALDH1A1 4114/4885MEN1 135/4885KMT2A 3995/4885
US-20130102567-A1 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 ALDH1A1 479/4885MEN1 549/4885KMT2A 3355/4885
US-20130102574-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES CYP24A1, VDR, CYP27B1 ALDH1A1 142/4885MEN1 812/4885KMT2A 2125/4885
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses CYP24A1, CYP2R1, CYP27B1 ALDH1A1 185/4885MEN1 1446/4885KMT2A 3021/4885
US-20130102573-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES VDR, CYP24A1, CYP2R1 ALDH1A1 291/4885MEN1 899/4885KMT2A 1840/4885
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 ALDH1A1 458/4885MEN1 1006/4885KMT2A 3920/4885

“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.