SCHEMBL1000301

SCHEMBL1000301

O=c1[nH]cc(C(F)(F)F)cc1O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 13/20 0.50
ERCC1 P07992 3/20 0.50
ERCC4 Q92889 3/20 0.50
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.38
COMT P21964 1/20 0.37

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
SCHEMBL17002554 0.77 MEN1 (0.48) DAOMEN1KMT2AALDH1A1HPGD
SCHEMBL17362093 0.77 ACLY (0.42) DAOMEN1KMT2AALDH1A1HPGD
SCHEMBL7909779 0.75 ALDH1A1 (0.44) DAOERCC1ERCC4MEN1KMT2A
SCHEMBL4153740 0.75 PKM (0.54) DAOMEN1KMT2AALDH1A1HPGD
SCHEMBL6986501 0.75 DAO (0.40) DAOMEN1KMT2AALDH1A1HPGD
SCHEMBL574325 0.75 TTK (0.44) DAOMEN1KMT2AALDH1A1HPGD
SCHEMBL24820640 0.75 MEN1 (0.43) DAOMEN1KMT2AALDH1A1HPGD
SCHEMBL20264635 0.75 DYRK1A (0.55) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4711460 0.73 KIF11 (0.47) ERCC1ERCC4MEN1KMT2ACOMT
SCHEMBL29537282 0.73 KMT2A (0.43) DAOMEN1KMT2AALDH1A1HPGD

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
CN-104011027-A Use of lonidamine analogs for fertility regulation UNIV KANSAS 2014-08-27 CN disclosed
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 US disclosed
US-8377958-B2 Lonidamine analogues for fertility management THE UNIVERSITY OF KANSAS (US) 2013-02-19 US disclosed
US-8362031-B2 Lonidamine analogues and treatment of polycystic kidney disease UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
EP-2502624-A1 Lonidamine analogues and their use in male contraception and cancer treatment THE UNIVERSITY OF KANSAS (US) 2012-09-26 EP disclosed
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP disclosed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US disclosed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO disclosed
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 US disclosed
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP disclosed
US-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-02 US disclosed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO 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 (4 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-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment TRAP1, HSPE1, HSF1 DAO 4462/4885ERCC1 863/4885ERCC4 972/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR DAO 2960/4885ERCC1 4619/4885ERCC4 4070/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 DAO 4300/4885ERCC1 1743/4885ERCC4 3837/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR DAO 2960/4885ERCC1 4619/4885ERCC4 4070/4885

“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.