SCHEMBL12376587

SCHEMBL12376587

COCCOC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
HDAC1 Q13547 1/20 0.50
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2B P18089 1/20 0.49
OPRD1 P41143 1/20 0.49
SCN5A Q14524 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 3/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49

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
SCHEMBL5456918 0.93 HDAC1 (0.52) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL196507 0.90 SMN1; SMN2 (0.61) MAPTRAB9AMEN1KMT2ASMN1; SMN2
Ethylene Glycol SCHEMBL21074267 0.88 CA1 (0.48) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL9969969 0.87 TSHR (0.64) MAPTRAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL14984037 0.86 TDP1 (0.58) MAPTRAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL21074268 0.84 CA1 (0.48) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL21672265 0.84 ALDH1A1 (0.66) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL21015766 0.83 TSHR (0.51) MAPTRAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL21015616 0.83 TSHR (0.51) MAPTRAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL20061726 0.83 TNF (0.48) MAPTRAB9AALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (1 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MAPT 4444/4885RAB9A 2056/4885ALDH1A1 1635/4885

“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.