SCHEMBL657581

SCHEMBL657581

O=C(CCc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.66
CYP1A2 P05177 2/20 0.63
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
FFAR1 O14842 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SLC13A5 Q86YT5 1/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
SOX18 P35713 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 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
SCHEMBL30275055 1.00 PDPK1 (0.66) PDPK1CYP1A2NPC1RAB9AFFAR1
SCHEMBL30275054 1.00 PDPK1 (0.66) PDPK1CYP1A2NPC1RAB9AFFAR1
SCHEMBL659321 0.90 SMN1; SMN2 (0.63) PDPK1CYP1A2NPC1RAB9AFFAR1
SCHEMBL658384 0.87 CYP1A2 (0.53) PDPK1CYP1A2NPC1RAB9ATDP1
SCHEMBL11538796 0.86 MAPT (0.68) PDPK1CYP1A2NPC1RAB9ATDP1
SCHEMBL28658857 0.86 NPC1 (0.70) PDPK1CYP1A2NPC1RAB9ACASP3
SCHEMBL23351593 0.84 CYP1A2 (0.53) PDPK1CYP1A2NPC1RAB9AFFAR1
SCHEMBL1217683 0.84 CYP1A2 (0.80) PDPK1CYP1A2FFAR1HDAC1HDAC8
SCHEMBL30403190 0.84 CYP1A2 (0.80) PDPK1CYP1A2FFAR1HDAC1HDAC8
SCHEMBL13386260 0.83 SMN1; SMN2 (0.55) PDPK1CYP1A2NPC1RAB9AHDAC1

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 9 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-106478395-B A kind of method of iridium catalyzed synthesizing alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
CN-106478395-A A kind of method of iridium catalyzed synthesizing alpha-alkyl ketone 南京理工大学 2017-03-08 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 109/4885CYP1A2 4611/4885NPC1 2687/4885

“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.