SCHEMBL13336035

SCHEMBL13336035

COCCN(C)Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 1/20 0.37

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
SCHEMBL16559754 0.83 SIGMAR1 (0.40) KDM4EALDH1A1TSHRSIGMAR1TMEM97
SCHEMBL13918966 0.83 ALDH1A1 (0.47) KDM4EALDH1A1TSHRSIGMAR1TMEM97
SCHEMBL13362520 0.83 TSHR (0.45) KDM4EALDH1A1TSHRSIGMAR1HDAC6
SCHEMBL16562304 0.81 MEN1 (0.49) KDM4EALDH1A1SIGMAR1TMEM97SMN1; SMN2
SCHEMBL12449593 0.81 SIGMAR1 (0.47) KDM4EALDH1A1TSHRSIGMAR1TMEM97
SCHEMBL14174811 0.80 CYP2D6 (0.54) KDM4EALDH1A1TSHRHDAC6MAOB
SCHEMBL13232635 0.78 TAAR1 (0.51) KDM4ETSHRSIGMAR1HDAC6MAOB
SCHEMBL14614616 0.78 PYCR1 (0.56) TSHRSIGMAR1TMEM97SMN1; SMN2ACHE
SCHEMBL13547854 0.77 TAAR1 (0.41) ACHEBCHELMNAHTR2A
SCHEMBL615516 0.77 TSHR (0.65) ALDH1A1TSHRSIGMAR1MAOBHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 — — 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 (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-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT KDM4E 2026/4885ALDH1A1 302/4885TSHR 3321/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH KDM4E 2810/4885ALDH1A1 330/4885TSHR 3243/4885

“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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