SCHEMBL4226950

SCHEMBL4226950

[CH2]C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
SRD5A2 P31213 1/20 0.57
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
HIF1A Q16665 1/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
SIRT1 Q96EB6 1/20 0.50
EPHX2 P34913 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL284242 0.81 EPHX2 (0.66) HDAC1SRD5A2ALDH1A1MEN1HTT
SCHEMBL14400014 0.80 MAPT (0.55) HDAC1SRD5A2ALDH1A1MEN1HTT
SCHEMBL1148445 0.80 SRD5A2 (0.83) HDAC1SRD5A2ALDH1A1MEN1HTT
SCHEMBL10946728 0.80 SRD5A2 (0.83) HDAC1SRD5A2ALDH1A1MEN1HTT
SCHEMBL2853873 0.80 HDAC1 (0.64) HDAC1SRD5A2ALDH1A1MEN1HTT
Ethylene SCHEMBL2357781 0.79 SRD5A2 (0.80) HDAC1SRD5A2ALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL5012511 0.79 EPHX2 (0.64) HDAC1SRD5A2ALDH1A1MEN1HTT
SCHEMBL19261396 0.78 HDAC1 (0.61) HDAC1SRD5A2ALDH1A1MEN1HTT
SCHEMBL501788 0.78 HDAC1 (0.61) HDAC1SRD5A2ALDH1A1MEN1HTT
SCHEMBL397829 0.78 EPHX2 (0.65) HDAC1SRD5A2ALDH1A1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
CN-101384610-A 11 beta-hydroxyandrostan-4-en-3-ones SUN PHARMA ADVANCED RES CO LTD (IN) 2009-03-11 CN disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 US disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US disclosed
US-7037880-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-02 US disclosed
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1360901-A1 2,3-cyclic substituted derivatives of 3-hydroxyacrolein and 3-hydroxyacrylic acid as pesticides NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2003-11-12 EP disclosed
US-RE38188-E1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
US-4226870-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1980-10-07 US disclosed
US-4226866-A BACTERICIDES, ACYLATION MERCK & CO., INC. (US) 1980-10-07 US disclosed
US-4196211-A ANTIBIOTIC MERCK & CO., INC. (US) 1980-04-01 US disclosed
US-4194047-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1980-03-18 US disclosed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 EP disclosed
US-4078068-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US disclosed
US-4078067-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US disclosed
US-4076826-A ANTIBIOTIC MERCK & CO., INC. (US) 1978-02-28 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 (3 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-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL HDAC1 2270/4885SRD5A2 1769/4885ALDH1A1 357/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL HDAC1 2639/4885SRD5A2 1996/4885ALDH1A1 963/4885
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 HDAC1 2214/4885SRD5A2 18/4885ALDH1A1 634/4885

“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.