SCHEMBL9023705

SCHEMBL9023705

COc1cc(C)ccc1CCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
MAPT P10636 8/20 0.47
L3MBTL1 Q9Y468 7/20 0.47
HPGD P15428 4/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL5471787 0.83 ACHE (0.56) ACHEMAPTL3MBTL1HPGDMAPK1
SCHEMBL22566468 0.83 ACHE (0.60) ACHEMAPTL3MBTL1HPGDMAPK1
SCHEMBL27345938 0.82 NPSR1 (0.40) ACHEMAPTL3MBTL1HPGDMAPK1
SCHEMBL10187102 0.81 L3MBTL1 (0.60) ACHEMAPTL3MBTL1HPGDMAPK1
SCHEMBL17375370 0.79 ACHE (0.56) ACHEMAPTL3MBTL1HPGDMAPK1
SCHEMBL12806451 0.79 ACHE (0.56) ACHEMAPTL3MBTL1HPGDMAPK1
SCHEMBL95794 0.79 ACHE (0.56) ACHEMAPTL3MBTL1HPGDMAPK1
SCHEMBL590943 0.79 APLNR (0.63) MAPTALDH1A1CYP3A4TSHRCYP1A2
SCHEMBL12174283 0.79 ACHE (0.56) ACHEMAPTL3MBTL1HPGDMAPK1
SCHEMBL8231646 0.79 ACHE (0.56) ACHEMAPTL3MBTL1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
US-8022248-B2 3-[2-(3-Cyanophenoxy)-4-(trifluoromethyl)phenyl]propanoic acid;prostaglandin D2 inhibitor, orphan receptor CRTH2 antagonist; antiinflammatory, analgesic, antipyretic; respiratory system disorders: asthma and rhinitis; coupling amino/thio-phenyl derivatives with ester followed by hydrolysis to acid ASTRAZENECA AB (SE) 2011-09-20 US disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP 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 (3 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ACHE 4136/4885MAPT 135/4885L3MBTL1 782/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 ACHE 4136/4885MAPT 135/4885L3MBTL1 782/4885
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 ACHE 4139/4885MAPT 3453/4885L3MBTL1 4013/4885

“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.