SCHEMBL3002980

SCHEMBL3002980

CC(C)C(C)(c1ccc(I)cc1)c1ccc(OCc2nccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 11/20 0.45
▸ ACACB O00763 1/20 0.43
▸ ALOX5 P09917 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALOX5AP P20292 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ ADAM17 P78536 1/20 0.32

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
SCHEMBL9924094 0.89 ALOX5AP (0.41) APPACACBALOX5LMNAPOLB
SCHEMBL3000188 0.85 ACACB (0.46) ACACBALOX5RAB9AALOX5AP
SCHEMBL2993269 0.83 NR4A2 (0.49) ACACBPOLBRAB9A
SCHEMBL2989839 0.82 ACACB (0.48) ACACBLMNAPOLBRAB9A
SCHEMBL2995588 0.79 APP (0.49) APPLMNAPOLBRAB9AATM
SCHEMBL3000902 0.79 ALOX5AP (0.43) ACACBALOX5LMNAPOLBRAB9A
SCHEMBL2995628 0.78 NPC1 (0.46) ACACBRAB9AL3MBTL1ALOX5AP
Ammonia Solution, Strong SCHEMBL2997486 0.78 ACACB (0.37) ACACBALOX5ALOX5APMMP9MMP13
SCHEMBL14396684 0.78 ALOX5AP (0.41) ACACBLMNAPOLBRAB9AALOX5AP
SCHEMBL2798446 0.78 ACACB (0.42) ACACBALOX5LMNAPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 — — EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 — — 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 (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 APP 722/4885ACACB 1284/4885ALOX5 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.

Send feedback