SCHEMBL14100990

SCHEMBL14100990

c1ccc2cc(-c3c4ccccc4c(Sc4cccc5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IFNAR1 P17181 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ GSTP1 P09211 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.35

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
SCHEMBL13829276 0.88 HDAC4 (0.40) IFNAR1HSD17B1HSD17B2ALDH1A1LMNA
SCHEMBL13829340 0.88 GSTP1 (0.39) IFNAR1HSD17B1HSD17B2ALDH1A1LMNA
SCHEMBL12887109 0.88 CYP11B1 (0.40) MAPK8MAPK9MAPK10SIRT2SIRT1
SCHEMBL14100986 0.83 IFNAR1 (0.41) IFNAR1ALDH1A1LMNANPY1RMAPK1
SCHEMBL14100989 0.82 TUBB4A (0.42) HSD17B1HSD17B2ALDH1A1LMNAGSTP1
SCHEMBL13829192 0.82 ESR1 (0.33) IFNAR1HSD17B1HSD17B2ALDH1A1LMNA
SCHEMBL29350362 0.79 ESR1 (0.52) HSD17B1HSD17B2ALDH1A1GSTP1ESR1
SCHEMBL36279 0.79 ESR1 (0.52) HSD17B1HSD17B2ALDH1A1GSTP1ESR1
SCHEMBL12887165 0.79 MAPK9 (0.39) ALDH1A1LMNAMAPK1MAPK8MAPK9
SCHEMBL2379728 0.79 ESR1 (0.52) HSD17B1HSD17B2ALDH1A1GSTP1ESR1

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 IFNAR1 4692/4885HSD17B1 3990/4885HSD17B2 3307/4885

“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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