SCHEMBL2242925

SCHEMBL2242925

CC(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnnn2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 1/20 0.42
▸ SYK P43405 7/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP19A1 P11511 5/20 0.41
▸ MAPK14 Q16539 3/20 0.40
▸ SMO Q99835 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL2244348 0.88 SYK (0.41) ADAMTS4SYKAURKBINCENPALDH1A1
SCHEMBL2248350 0.83 ALOX5AP (0.54) ADAMTS4SYKAURKBINCENPALDH1A1
SCHEMBL3914582 0.81 NPC1 (0.54) ADAMTS4RAB9ACYP19A1SMN1; SMN2
SCHEMBL13902762 0.77 SYK (0.40) ADAMTS4SYKAURKBINCENPALDH1A1
Ammonia Solution, Strong SCHEMBL2996101 0.77 ADAMTS4 (0.42) ADAMTS4SYKAURKBINCENPALDH1A1
SCHEMBL2248075 0.76 ALOX5AP (0.39) ADAMTS4SYKAURKBINCENPALDH1A1
SCHEMBL12356711 0.76 ALDH1A1 (0.50) ADAMTS4SYKAURKBINCENPALDH1A1
SCHEMBL2990174 0.75 CYP19A1 (0.52) ADAMTS4ALDH1A1CYP19A1KDM4ESMN1; SMN2
SCHEMBL1055899 0.74 MAPT (0.53) ALDH1A1MAPTRAB9ACYP19A1SMN1; SMN2
SCHEMBL13248369 0.73 KDM4C (0.47) ADAMTS4ALDH1A1MAPK14SMOCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 — — US disclosed
US-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — US disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 — — US disclosed
EP-1814877-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS Merck & Co., Inc. (US) 2007-08-08 — — EP disclosed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 — — WO disclosed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 — — WO 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-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B ADAMTS4 576/4885SYK 2934/4885AURKB 4703/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B ADAMTS4 576/4885SYK 2934/4885AURKB 4703/4885

“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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