SCHEMBL2064455

SCHEMBL2064455

COCC(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GSK3B P49841 1/20 0.57
TDP1 Q9NUW8 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
CTNNB1 P35222 1/20 0.51
WNT3A P56704 1/20 0.51
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL11806422 0.84 NPC1 (0.59) NPC1RAB9AMAPTALDH1A1GSK3B
SCHEMBL7290567 0.83 CA1 (0.54) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL863102 0.83 ESR2 (0.59) NPC1RAB9AMAPTALDH1A1TDP1
SCHEMBL6040897 0.81 TPMT (0.46) NPC1RAB9AMAPTGSK3BSMN1; SMN2
SCHEMBL3833913 0.81 LMNA (0.50) NPC1RAB9AMAPTALDH1A1GSK3B
SCHEMBL20135229 0.81 MAPT (0.62) NPC1RAB9AMAPTALDH1A1TDP1
SCHEMBL19219873 0.81 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL10796669 0.81 HAO1 (0.46) NPC1RAB9AMAPTALDH1A1GSK3B
SCHEMBL246263 0.81 HDAC3 (0.66) NPC1RAB9AMAPTALDH1A1GSK3B
SCHEMBL7290231 0.81 GSK3B (0.41) NPC1RAB9AMAPTALDH1A1GSK3B

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224851-A1 METAL OXIDE CATALYZED RADIOFLUORINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-10 US disclosed
EP-2062884-B1 Phenylacetic acid derivatives and pharmaceutical composition thereof FUJI YAKUHIN CO LTD (JP) 2013-02-20 EP disclosed
US-8148421-B2 Phenylacetic acid derivative FUJI YAKUHIN CO., LTD. (JP) 2012-04-03 US disclosed
US-20100048666-A1 NOVEL PHENYLACETIC ACID DERIVATIVE FUJI YAKUHIN CO., LTD. (JP) 2010-02-25 US disclosed
US-20090298898-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-20090298898-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-7569727-B2 N-{(4-{3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propoxy}-phenyl)-[(E)-ethoxyimino]-methyl}-2,2,2-trifluoroacetamide; exhibit valuable preventive and/or curative activity even at low rates of concentration, while being well tolerated by warm-blooded animals, fish and plants SYNGENTA CROP PROTECTION, INC. (US) 2009-08-04 US disclosed
US-7569727-B2 N-{(4-{3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propoxy}-phenyl)-[(E)-ethoxyimino]-methyl}-2,2,2-trifluoroacetamide; exhibit valuable preventive and/or curative activity even at low rates of concentration, while being well tolerated by warm-blooded animals, fish and plants SYNGENTA CROP PROTECTION, INC. (US) 2009-08-04 US disclosed
EP-2080752-A1 Pesticidally active ketone and oxime derivatives Syngenta Participations AG (CH) 2009-07-22 EP disclosed
EP-2062884-A1 NOVEL PHENYLACETIC ACID DERIVATIVE Fuji Yakuhin Co., Ltd. (JP) 2009-05-27 EP disclosed
US-5393924-A Reacting an arylisonitrosoalkanone with hydrogen and carboxylic acid in presence of a transition metal hydrogenation catalyst HOECHST CELANESE CORPORATION (US) 1995-02-28 US disclosed
WO-1995000114-A1 TETRALINE® FORMATE ESTER AROMA CHEMICALS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5349090-A Process for preparing arylketoamines HOECHST CELANESE CORPORATION (US) 1994-09-20 US disclosed
US-5338884-A Reacting an arylisonitrosoalkanone with hydrogen then acid, ester inpresence of catalyst HOECHST CELANESE (US) 1994-08-16 US disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
US-5220063-A Reacting arylisonitrosoalkanone with hydrogen and acyl doner in presence of transition metal catalyst HOECHST CELANESE CORPORATION (US) 1993-06-15 US disclosed
US-5198585-A Catalytic hydrogenation of arylisonitrosoalkanone HOECHST CELANESE CORPORATION (US) 1993-03-30 US disclosed
WO-1993001158-A1 METHOD FOR THE PREPARATION OF ARYLKETOAMINES HOECHST CELANESE CORPORATION (US) 1993-01-21 WO disclosed
EP-0481705-A1 Process for the preparation of arylalkylamines and substituted arylalkylamines HOECHST CELANESE CORPORATION (US) 1992-04-22 EP disclosed
US-5041669-A Reacting alkyl aryl ketones with alkyl nitrites, extracting product, catalytically hydrogenating/reducing in nonaqueous acid mixture HOECHST CELANESE CORPORATION (US) 1991-08-20 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 (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-20100048666-A1 NOVEL PHENYLACETIC ACID DERIVATIVE PTGS1, PTGER1, PTGDR NPC1 2166/4885RAB9A 2775/4885MAPT 4810/4885
US-20170224851-A1 METAL OXIDE CATALYZED RADIOFLUORINATION TRHDE, TPO, TERT NPC1 3602/4885RAB9A 196/4885MAPT 3400/4885
US-20090298898-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES CHRM2, FOXO3, CHRM1 NPC1 2582/4885RAB9A 2029/4885MAPT 4223/4885

“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.