SCHEMBL4804422

SCHEMBL4804422

COC(=O)c1c(C)[nH]c(C)c1C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 6/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 6/20 0.47
NR4A2 P43354 1/20 0.46
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 9/20 0.43
NPC1 O15118 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 1/20 0.43
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL22611888 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA
SCHEMBL15331979 0.81 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KMT2ALMNAPOLB
SCHEMBL15330789 0.77 NPSR1 (0.51) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA
SCHEMBL29950777 0.77 SMN1; SMN2 (0.58) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA
SCHEMBL13488596 0.77 NPSR1 (0.66) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA
SCHEMBL7293758 0.75 LMNA (0.56) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA
SCHEMBL7290595 0.75 NPSR1 (0.53) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA
SCHEMBL15331397 0.74 ALDH1A1 (0.58) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA
SCHEMBL6468905 0.73 NPSR1 (0.52) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA
SCHEMBL5322133 0.73 NPSR1 (0.51) SMN1; SMN2NPSR1ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 US disclosed
US-20130184264-A1 Compositions And Methods For Treating Neoplasia, Inflammatory Disease And Other Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-07-18 US disclosed
US-20120126690-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION 2012-05-24 US disclosed
US-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents ASTRAZENECA AB, A SWEDEN CORPORATION 2008-06-26 US disclosed
US-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 US disclosed
EP-1412362-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-04-28 EP disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 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 (9 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-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 SMN1; SMN2 4177/4885NPSR1 3994/4885ALDH1A1 2424/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 SMN1; SMN2 4030/4885NPSR1 4603/4885ALDH1A1 3670/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 SMN1; SMN2 2078/4885NPSR1 4356/4885ALDH1A1 1723/4885
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use SHBG, CYP19A1, CYP17A1 SMN1; SMN2 4353/4885NPSR1 550/4885ALDH1A1 1692/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 SMN1; SMN2 2078/4885NPSR1 4356/4885ALDH1A1 1723/4885
US-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents HRH4, HRH2, HRH3 SMN1; SMN2 4492/4885NPSR1 926/4885ALDH1A1 463/4885
US-20130184264-A1 Compositions And Methods For Treating Neoplasia, Inflammatory Disease And Other Disorders BRPF3, EP300, BRD3 SMN1; SMN2 4030/4885NPSR1 4603/4885ALDH1A1 3670/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 SMN1; SMN2 3624/4885NPSR1 1811/4885ALDH1A1 401/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 SMN1; SMN2 4030/4885NPSR1 4603/4885ALDH1A1 3670/4885

“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.