SCHEMBL13248437

SCHEMBL13248437

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cnn(CC3CCNC3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K3 Q8IVH8 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MMP13 P45452 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ SYK P43405 2/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33

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
SCHEMBL2986838 1.00 MAP4K3 (0.37) MAP4K3ALOX5APALOX5HPGDMMP13
SCHEMBL2246968 0.81 NPC1 (0.41) ALOX5APALOX5HPGDTYK2JAK3
SCHEMBL2994348 0.81 ALOX5AP (0.41) ALOX5APSYKAURKBINCENPPDE10A
SCHEMBL3002623 0.80 KDM4E (0.42) ALOX5APHPGDSYKAURKBINCENP
SCHEMBL2997210 0.75 HPGD (0.42) ALOX5APHPGDSYKAURKBINCENP
SCHEMBL14009616 0.73 ALOX5 (0.40) ALOX5HPGDADAMTS4RENKDM4E
SCHEMBL3002189 0.72 ALOX5AP (0.43) ALOX5APALOX5HPGDSYKAURKB
SCHEMBL2248325 0.71 NPC1 (0.39) ALOX5APALOX5HPGDTYK2JAK3
SCHEMBL2246935 0.71 NPC1 (0.39) ALOX5APALOX5HPGDTYK2JAK3
SCHEMBL2994531 0.70 ALOX5AP (0.49) ALOX5APHPGDSYKAURKBINCENP

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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B MAP4K3 2380/4885ALOX5AP 15/4885ALOX5 1/4885

“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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