SCHEMBL12123647

SCHEMBL12123647

CC(C)(C)c1ccc(C(=O)CCN2CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ LMNA P02545 6/20 0.63
▸ MAPT P10636 6/20 0.63
▸ HTT P42858 3/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ GFER P55789 1/20 0.63
▸ TP53 P04637 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ HPGD P15428 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ THRB P10828 6/20 0.60
▸ USP2 O75604 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CYP1A2 P05177 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ CHRM4 P08173 1/20 0.59
▸ CHRM5 P08912 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59

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
SCHEMBL10762865 0.91 CYP2J2 (0.63) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL15601796 0.85 KMT2A (0.68) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL20017223 0.83 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL13155271 0.83 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL12123614 0.83 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL12240720 0.83 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL12548349 0.82 ALDH1A1 (0.65) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL13155313 0.81 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL13069210 0.81 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL12267314 0.81 ALDH1A1 (0.78) ALDH1A1KMT2ALMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 — — US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 — — US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 — — US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 — — US disclosed
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 — — US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 — — US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 — — US disclosed
US-7585888-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-08 — — US disclosed
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-02-26 — — US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 — — US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 — — US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 — — US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 — — 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 (8 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885LMNA 4556/4885
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ALDH1A1 609/4885KMT2A 1762/4885LMNA 1040/4885
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT ALDH1A1 302/4885KMT2A 816/4885LMNA 3419/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885LMNA 4556/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH ALDH1A1 330/4885KMT2A 1353/4885LMNA 3286/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ALDH1A1 609/4885KMT2A 1762/4885LMNA 1040/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885LMNA 4556/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885LMNA 4556/4885

“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.

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