SCHEMBL6986471

SCHEMBL6986471

OC/C=C/CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CHRM5 P08912 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
EPHX1 P07099 2/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5 P09917 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6986477 1.00 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10768135 1.00 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10596506 1.00 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10596501 1.00 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10768126 1.00 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7400325 1.00 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10870592 0.97 ADH1B (0.30) ADH1BADH1CADH1AADH4ADH7
Acetic Acid SCHEMBL6988179 0.88 LMNA (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29860701 0.84 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4793553 0.77 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7

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-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US disclosed
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US disclosed
EP-2487149-A1 METHOD FOR PRODUCING KETONE JX Nippon Oil & Energy Corporation (JP) 2012-08-15 EP disclosed
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE OSAKA UNIVERSITY (JP) 2012-08-02 US disclosed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US disclosed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US disclosed
WO-2010025272-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-03-04 WO disclosed
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed
US-5502053-A HIV protease inhibitor compounds MERCK & CO., INC. (US) 1996-03-26 US disclosed
US-4105697-A Process for the preparation of α, β-ethylenic aldehydes RHONE-POULENC INDUSTRIES (FR) 1978-08-08 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-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES TUBA1C, TUBB1, TOP1 ADH1B 2564/4885ADH1C 3037/4885ADH1A 3516/4885
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE CBR1, CBR3, DUOX1 ADH1B 148/4885ADH1C 6/4885ADH1A 24/4885

“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.