SCHEMBL14100989

SCHEMBL14100989

c1ccc2cc(Sc3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ GSTP1 P09211 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ HAO1 Q9UJM8 1/20 0.38

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
SCHEMBL12887107 0.87 CYP11B1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12887173 0.83 CYP11B2 (0.46) NPC1RAB9ACYP17A1CYP19A1CYP11B1
SCHEMBL2379728 0.83 ESR1 (0.52) GSTP1ESR1ESR2ALOX5CYP1A2
SCHEMBL29350362 0.83 ESR1 (0.52) GSTP1ESR1ESR2ALOX5CYP1A2
SCHEMBL36279 0.83 ESR1 (0.52) GSTP1ESR1ESR2ALOX5CYP1A2
SCHEMBL12887170 0.82 CYP11B1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14100990 0.82 IFNAR1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12887116 0.81 CYP17A1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25060858 0.81 ESR1 (0.50) GSTP1ESR1ESR2ALOX5CYP1A2
SCHEMBL25566510 0.81 ESR1 (0.50) GSTP1ESR1ESR2ALOX5CYP1A2

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 TUBB4A 1431/4885TUBB 2428/4885TUBA3C 961/4885

“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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