SCHEMBL14101036

SCHEMBL14101036

c1ccc2c(Oc3ccc4ccc5c(-c6cccc7ccccc67)ccc6ccc3c4c65)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 3/20 0.41
PPARG P37231 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL444099 0.88 ALDH1A1 (0.50) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL30744773 0.84 HSD17B10 (0.58) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL3786972 0.84 HSD17B10 (0.58) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL3792057 0.84 HSD17B10 (0.58) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL441488 0.82 HSD17B10 (0.56) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL31529058 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL442152 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL2081468 0.78 ALDH1A1 (0.50) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL444017 0.77 ALDH1A1 (0.60) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL6900684 0.77 ALDH1A1 (0.44) ALDH1A1CYP1A2HSD17B10HPGDMAPT

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-20080166593-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080166593-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-10 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-20080166593-A1 Organic Electroluminescent Devices OR10J3, DDT, EML4 ALDH1A1 610/4885CYP1A2 870/4885HSD17B10 2215/4885

“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.