SCHEMBL13155313

SCHEMBL13155313

CC(C)(C)c1cccc(C(=O)CCN2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ GFER P55789 1/20 0.58
▸ ACHE P22303 1/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ HPGD P15428 2/20 0.50
▸ MAOB P27338 1/20 0.50
▸ MAPT P10636 5/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ TP53 P04637 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL13155271 0.99 ALDH1A1 (0.62) ALDH1A1KMT2AGFERACHEMEN1
SCHEMBL13155340 0.90 ACHE (0.55) ALDH1A1KMT2AGFERACHEMEN1
SCHEMBL13155199 0.88 ALDH1A1 (0.64) ALDH1A1KMT2AACHEMEN1MAPT
SCHEMBL13336173 0.84 ACHE (0.48) ALDH1A1ACHEMAPTLMNAHTT
SCHEMBL12123647 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AGFERACHEMEN1
SCHEMBL12203378 0.80 MEN1 (0.76) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL12123636 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AGFERMEN1HPGD
Hydrochloric Acid SCHEMBL7929065 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AGFERMEN1HPGD
SCHEMBL13181454 0.79 ALDH1A1 (0.61) ALDH1A1KMT2AGFERACHEHPGD
SCHEMBL23480399 0.78 ALDH1A1 (0.74) ALDH1A1KMT2AGFERMEN1HPGD

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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