SCHEMBL3609466

SCHEMBL3609466

O=C(CCc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
PDPK1 O15530 2/20 0.58
PLAAT3 P53816 1/20 0.57
PLAAT5 Q96KN8 1/20 0.57
PLAAT2 Q9NWW9 1/20 0.57
PLAAT4 Q9UL19 1/20 0.57
MMP1 P03956 1/20 0.55
HSD11B1 P28845 1/20 0.55
PTPN1 P18031 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GSK3B P49841 1/20 0.54
DPP4 P27487 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
PDE4A P27815 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
SCHEMBL658098 0.93 PDPK1 (0.67) NPC1RAB9APDPK1PLAAT3PLAAT5
SCHEMBL10769738 0.90 TDP1 (0.70) NPC1RAB9APDPK1PLAAT3PLAAT5
SCHEMBL6201845 0.85 MMP1 (0.54) NPC1RAB9APDPK1MMP1PTPN1
SCHEMBL10070209 0.83 RAB9A (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1515765 0.83 MAPT (0.61) PDPK1MMP1HSD11B1PTPN1GSK3B
SCHEMBL28423545 0.83 FFAR4 (0.53) NPC1RAB9ACASP3SENP8SENP7
Hydrochloric Acid SCHEMBL5752228 0.83 MMP1 (0.51) NPC1RAB9APDPK1MMP1PTPN1
SCHEMBL27952195 0.83 CES2 (0.56) NPC1RAB9APDPK1CASP3SENP8
SCHEMBL7194757 0.82 TACR1 (0.51) NPC1RAB9APDPK1CASP3SENP8
SCHEMBL30572 0.82 TDP1 (0.77) NPC1RAB9ACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102430-A Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2023-05-12 CN disclosed
CN-111807971-B Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2023-03-24 CN disclosed
CN-111807971-A Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2020-10-23 CN disclosed
CN-106478325-B A method of synthesis alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
CN-105439787-B Method for synthesizing α -alkyl ketone 南京理工大学 2018-02-13 CN disclosed
CN-106478325-A A kind of method of synthesis alpha-alkyl ketone 南京理工大学 2017-03-08 CN disclosed
CN-105906543-A Novel synthesis method of multifunctional pyrrole 常州大学 2016-08-31 CN disclosed
CN-104557500-B A kind of method of synthetic alpha-alkyl ketone NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-18 CN disclosed
CN-105439787-A Method for synthesizing alpha-alkyl ketone UNIV NANJING SCIENCE & TECH 2016-03-30 CN disclosed
CN-104557500-A Method for synthesizing alpha-alkyl ketone UNIV NANJING SCIENCE & TECH 2015-04-29 CN disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
EP-1748982-B1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2009-07-29 EP disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 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-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease APP, BACE1, CHAT NPC1 1081/4885RAB9A 1471/4885PDPK1 890/4885

“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.