SCHEMBL2220485

SCHEMBL2220485

CC(C)=CC(=O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
STAT3 P40763 1/20 0.50
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
KISS1R Q969F8 2/20 0.34
PTPN1 P18031 1/20 0.34
PRKCA P17252 2/20 0.33
CYP2C19 P33261 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
SCHEMBL11511816 0.82 ALDH1A1 (0.48) ALDH1A1TDP1STAT3CA2MMP1
SCHEMBL11511817 0.82 ALDH1A1 (0.48) ALDH1A1TDP1STAT3CA2MMP1
SCHEMBL1320563 0.80 ALDH1A1 (0.46) ALDH1A1TDP1STAT3CA2KISS1R
SCHEMBL1320565 0.80 ALDH1A1 (0.46) ALDH1A1TDP1STAT3CA2KISS1R
SCHEMBL13567281 0.78 STAT3 (0.46) ALDH1A1TDP1STAT3CA2PTPN1
SCHEMBL17639989 0.78 STAT3 (0.46) ALDH1A1TDP1STAT3PTPN1PRKCA
SCHEMBL16642030 0.77 TDP1 (0.42) ALDH1A1TDP1STAT3CA2MMP1
SCHEMBL8812729 0.77 ALDH1A1 (0.42) ALDH1A1TDP1STAT3CA2KISS1R
SCHEMBL11018655 0.77 ALDH1A1 (0.42) ALDH1A1TDP1STAT3CA2KISS1R
SCHEMBL11018652 0.77 ALDH1A1 (0.42) ALDH1A1TDP1STAT3CA2KISS1R

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775098-A Saturated alcohol and method for preparing saturated alcohol from unsaturated aldehyde ketone 湖南长炼新材料科技股份公司 2025-04-08 CN claimed
CN-119775098-A Saturated alcohol and method for preparing saturated alcohol from unsaturated aldehyde ketone 湖南长炼新材料科技股份公司 2025-04-08 CN disclosed
US-12029791-B2 Therapeutic conjugates TOTUS MEDICINES INC. (US) 2024-07-09 US disclosed
US-20190241822-A1 COMPOSITION FOR REMOVING IRON SULFIDE KURARAY CO., LTD. (JP) 2019-08-08 US disclosed
EP-2930179-B1 RUTHENIUM COMPLEX AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM TOSOH CORP (JP) 2018-09-05 EP disclosed
US-10000490-B2 Inhibitors of the fibroblast growth factor receptor BLUEPRINT MEDICINES CORPORATION (US) 2018-06-19 US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20170253593-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION 2017-09-07 US disclosed
US-9695165-B2 Inhibitors of the fibroblast growth factor receptor BLUEPRINT MEDICINES CORPORATION (US) 2017-07-04 US disclosed
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION 2017-06-22 US disclosed
US-20140088100-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES (US) 2014-03-27 US disclosed
WO-2013155223-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 WO disclosed
US-20130164310-A1 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED 2013-06-27 US disclosed
WO-2013055667-A2 BIOCATALYSIS CELLS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-04-18 WO disclosed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
WO-2012080809-A1 PROCESS FOR PRODUCING DIBK RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2012-06-21 WO disclosed
WO-2011143651-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 WO disclosed
WO-2011143657-A1 MALE CONTRACEPTIVE COMPOSITIONS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 WO disclosed
WO-2011143660-A2 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (6 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-12029791-B2 Therapeutic conjugates CD47, CD44, EPCAM ALDH1A1 1307/4885TDP1 2678/4885STAT3 2823/4885
US-20170253593-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 ALDH1A1 2337/4885TDP1 2276/4885STAT3 346/4885
US-20140088100-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR1, FGFR2, FGFR3 ALDH1A1 2544/4885TDP1 1941/4885STAT3 401/4885
US-10000490-B2 Inhibitors of the fibroblast growth factor receptor FGFR4, FGFR1, FGFR2 ALDH1A1 2337/4885TDP1 2276/4885STAT3 346/4885
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 ALDH1A1 1963/4885TDP1 2360/4885STAT3 343/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 ALDH1A1 4812/4885TDP1 1066/4885STAT3 1687/4885

“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.