SCHEMBL6798141

SCHEMBL6798141

O=P(O)(O)CCCCc1sc(-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c(-c2cccs2)c1CCCCP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32
HDAC1 Q13547 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6801063 0.83 FBP1 (0.37) FBP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL1231111 0.81 KDM4E (0.37) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL5361361 0.76 KDM4E (0.39) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL4775600 0.76 KDM4E (0.39) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL5373030 0.76 KDM4E (0.39) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL6800350 0.74 FBP1 (0.36) FBP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL4219592 0.73 KDM4E (0.32) KDM4EALDH1A1GAA
SCHEMBL13888687 0.69 DPP4 (0.55) FBP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL13888685 0.69 DPP4 (0.55) FBP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL4319170 0.68 MEN1 (0.47) KDM4EALDH1A1NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825358-B2 AS ORGANIC SEMICONDUCTORS CAN BE DISSOLVED IN COMMON ORGANIC SOLVENTS AND APPLIED TO THE SURFACE OF A SUBSTRATE USING INEXPENSIVE, LOW-TEMPERATURE SOLUTION-BASED PROCESSING SUCH AS SPIN-COATING, DIP-COATING, DROP-CASTING, ETC. INTERNATIONAL BUSINESS MACHINES CORPORATION 2004-11-30 US disclosed
US-6414164-B1 LOW COST, LOW TEMPERATURE ALTERNATIVES TO AMORPHOUS SILICON AS SEMICONDUCTING COMPONENT IN THIN FILM TRANSISTOR DEVICES INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-07-02 US disclosed
US-20020072618-A1 Synthesis of soluble derivatives of sexithiophene and their use as the semiconducting channels in thin-film field-effect transistors GLOBALFOUNDRIES U.S. INC. 2002-06-13 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-20020072618-A1 Synthesis of soluble derivatives of sexithiophene and their use as the semiconducting channels in thin-film field-effect transistors SLC43A1, GFPT1, PHOSPHO1 FBP1 810/4885KDM4E 152/4885ALDH1A1 3675/4885

“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.