SCHEMBL822754

SCHEMBL822754

COc1ccc2c(c1)-c1cc(C)ccc1C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
METAP1 P53582 3/20 0.53
DRD2 P14416 3/20 0.47
DRD1 P21728 3/20 0.47
DRD5 P21918 3/20 0.47
DRD3 P35462 3/20 0.47
ACHE P22303 4/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
HTR2C P28335 4/20 0.44
HTR2A P28223 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL4895916 0.90 METAP1 (0.61) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL10693161 0.90 METAP1 (0.64) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL15869786 0.85 METAP1 (0.54) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL29633503 0.83 METAP1 (0.57) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL546147 0.83 METAP1 (0.57) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL3287680 0.81 ALDH1A1 (0.56) KMT2AGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL28642174 0.81 CYP3A4 (0.56) GAAALDH1A1METAP1DRD1DRD5
SCHEMBL15483667 0.80 METAP1 (0.63) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL22738419 0.79 METAP1 (0.53) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL1723322 0.78 ACHE (0.52) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180198075-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-12 US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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-20180198075-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES C1R, ORC3, OR10J3 MEN1 1114/4885KMT2A 3801/4885GAA 4755/4885
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 MEN1 2732/4885KMT2A 2436/4885GAA 4550/4885

“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.