SCHEMBL658098

SCHEMBL658098

O=C(CCc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.67
PLAAT3 P53816 1/20 0.57
PLAAT5 Q96KN8 1/20 0.57
PLAAT2 Q9NWW9 1/20 0.57
PLAAT4 Q9UL19 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TDP1 Q9NUW8 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
FFAR1 O14842 2/20 0.52
MMP1 P03956 1/20 0.51
HSD11B1 P28845 1/20 0.51
PTPN1 P18031 2/20 0.50
GSK3B P49841 1/20 0.50
FFAR4 Q5NUL3 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL3609466 0.93 NPC1 (0.59) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3732559 0.86 CES2 (0.56) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7194757 0.85 TACR1 (0.51) PDPK1NPC1RAB9ATDP1CASP3
SCHEMBL6201845 0.85 MMP1 (0.54) PDPK1NPC1RAB9AFFAR1MMP1
SCHEMBL10769738 0.84 TDP1 (0.70) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5608126 0.83 ESRRG (0.63) PDPK1NPC1RAB9ATDP1CASP3
SCHEMBL1040696 0.83 PIK3CA (0.55) PDPK1NPC1RAB9AHSD11B1PTPN1
Hydrochloric Acid SCHEMBL5752228 0.83 MMP1 (0.51) PDPK1NPC1RAB9AFFAR1MMP1
SCHEMBL27952195 0.83 CES2 (0.56) PDPK1NPC1RAB9ATDP1CASP3
SCHEMBL28423545 0.83 FFAR4 (0.53) NPC1RAB9ATDP1CASP3SENP8

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-119059949-A Two-dimensional perovskite and preparation method and application thereof 中山大学 2024-12-03 CN disclosed
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-105439787-A Method for synthesizing alpha-alkyl ketone UNIV NANJING SCIENCE & TECH 2016-03-30 CN disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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 (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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB PDPK1 109/4885PLAAT3 1629/4885PLAAT5 1473/4885

“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.