SCHEMBL128946

SCHEMBL128946

CCCC(=O)Oc1c[c]ccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.36
ESR1 P03372 1/20 0.36
ACHE P22303 1/20 0.36
CA2 P00918 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL7275710 0.90 KMT2A (0.47) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL6199731 0.89 KMT2A (0.46) KMT2AALDH1A1KDM4EALOX15RAB9A
SCHEMBL128694 0.86 ACHE (0.49) KMT2AALDH1A1MAPTLMNAHTT
Water SCHEMBL27583734 0.80 BCL9 (0.57) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL130836 0.79 BCL9 (0.56) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL20769806 0.78 BCL9 (0.59) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL62921 0.78 BCL9 (0.59) BCL9CTNNB1KMT2AALDH1A1MAPT
Iodide SCHEMBL11482340 0.77 BCL9 (0.57) BCL9CTNNB1KMT2AALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL20958243 0.77 BCL9 (0.57) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL129259 0.77 LMNA (0.48) KMT2AALDH1A1MAPTLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-1926121-B Thiazole derivatives and uses thereof MERCK SERONO SA 2012-06-13 CN disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1926121-A Thiazole derivatives and uses thereof APPLIED RESEARCH SYSTEMS (AN) 2007-03-07 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-4855418-A Process for production of ceophalosporins ELI LILLY AND COMPANY (US) 1989-08-08 US disclosed
EP-0324562-A1 1-Carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-07-19 EP disclosed
US-4820816-A 3-trifuoromethylsulfonyloxy-substituted 1-carbacephalosporins as intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-04-11 US disclosed
US-4820832-A Process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins ELI LILLY AND COMPANY (US) 1989-04-11 US disclosed
EP-0299728-A2 Carbonylation process for beta-lactam antibiotics ELI LILLY AND COMPANY (US) 1989-01-18 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
US-4778884-A REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1988-10-18 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 US disclosed
EP-0211540-A1 Intermediates and process for antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-02-25 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 BCL9 4390/4885CTNNB1 2465/4885KMT2A 4267/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 BCL9 2528/4885CTNNB1 3404/4885KMT2A 3400/4885

“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.