SCHEMBL13155199

SCHEMBL13155199

CC(C)(C)c1cccc(C(=O)CCN2CCOCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ MAPT P10636 6/20 0.64
▸ MEN1 O00255 1/20 0.62
▸ TP53 P04637 2/20 0.56
▸ ALDH3A1 P30838 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ LMNA P02545 2/20 0.53
▸ MPI P34949 1/20 0.53
▸ ACHE P22303 1/20 0.52
▸ THRB P10828 3/20 0.49
▸ THRA P10827 2/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 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 0.88 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL12125729 0.87 KMT2A (0.64) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL13155340 0.87 ACHE (0.55) ALDH1A1KMT2AMAPTMEN1ACHE
SCHEMBL13155271 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL15601796 0.84 KMT2A (0.68) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL12123780 0.83 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTMEN1TP53
Hydrochloric Acid SCHEMBL7934870 0.82 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL10203243 0.81 CYP2C19 (0.68) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL499446 0.81 ALDH1A1 (0.71) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL13336173 0.81 ACHE (0.48) ALDH1A1MAPTHTTLMNAACHE

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 1762/4885MAPT 4197/4885
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT ALDH1A1 302/4885KMT2A 816/4885MAPT 203/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH ALDH1A1 330/4885KMT2A 1353/4885MAPT 1205/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ALDH1A1 609/4885KMT2A 1762/4885MAPT 4197/4885

“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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