SCHEMBL6651373

SCHEMBL6651373

COC(=O)CCOC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.40
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SLC1A1 P43005 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35

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
Cyclopropane SCHEMBL27365076 0.94 TSHR (0.48) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL16707218 0.86 TSHR (0.58) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL14148186 0.85 TSHR (0.56) TSHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL7741371 0.81 LMNA (0.52) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL13502946 0.81 ALDH1A1 (0.40) TSHRALDH1A1KMT2ALMNA
SCHEMBL19821796 0.80 TSHR (0.48) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL17909484 0.80 TSHR (0.50) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL17909221 0.80 TSHR (0.50) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL21512465 0.80 KMT2A (0.47) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL24800795 0.79 TSHR (0.52) TSHRALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6415614-B1 CONTROLLING VAPOR PRESSURE OF MIXTURE VISTEON GLOBAL TECHNOLOGIES, INC. 2002-07-09 US claimed
US-9801851-B2 Methods and compositions for the treatment of BCR-ABL positive lymphoblastic leukemias ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-10-31 US disclosed
US-20150133462-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-14 US disclosed
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
CN-1058781-A New heterocyclic anthracycline hydrocarbon homologue IAF BIOCHEM INT (CA) 1992-02-19 CN disclosed
US-4978754-A REACTING B-ALKOXY-SUBSTITUTED CARBOXYLATE WITH CYCLIC AMINE, REMOVING ALCOHOL IN PRESENCE OF BASIC CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-12-18 US disclosed
EP-0321256-A2 Process of preparing unsaturated carboxylic acid amides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-06-21 EP 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 (1 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-20150133462-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS ABL1, BCR, ABL2 TSHR 4621/4885ALDH1A1 2348/4885KMT2A 796/4885

“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.