SCHEMBL13155271

SCHEMBL13155271

CC(C)(C)c1cccc(C(=O)CCN2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ GFER P55789 1/20 0.61
▸ ACHE P22303 2/20 0.55
▸ HPGD P15428 2/20 0.52
▸ MAOB P27338 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TP53 P04637 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ THRB P10828 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CHRM4 P08173 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
SCHEMBL13155313 0.99 ALDH1A1 (0.60) ALDH1A1KMT2AGFERACHEHPGD
SCHEMBL13155340 0.89 ACHE (0.55) ALDH1A1KMT2AGFERACHEMAPT
SCHEMBL13155199 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AACHEMAPTLMNA
SCHEMBL12123647 0.83 ALDH1A1 (0.65) ALDH1A1KMT2AGFERACHEHPGD
SCHEMBL13336173 0.83 ACHE (0.48) ALDH1A1ACHEMAPTLMNAHTT
SCHEMBL12123636 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AGFERHPGDMAOB
Hydrochloric Acid SCHEMBL7929065 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AGFERHPGDMAOB
SCHEMBL23480399 0.80 ALDH1A1 (0.74) ALDH1A1KMT2AGFERHPGDMAOB
SCHEMBL17033399 0.80 ALDH1A1 (0.69) ALDH1A1KMT2AGFERHPGDMAOB
SCHEMBL13181438 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AGFERACHEHPGD

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ALDH1A1 609/4885KMT2A 1762/4885GFER 3209/4885
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT ALDH1A1 302/4885KMT2A 816/4885GFER 2233/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH ALDH1A1 330/4885KMT2A 1353/4885GFER 2912/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ALDH1A1 609/4885KMT2A 1762/4885GFER 3209/4885

“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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