SCHEMBL6800350

SCHEMBL6800350

O=P(O)(O)CCCCc1csc(-c2cccs2)c1-c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.36
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP2 P08253 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC1 Q13547 4/20 0.32
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTPN1 P18031 1/20 0.31
GAA P10253 3/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL1883229 0.78 KDM4E (0.38) HDAC1KDM4EALDH1A1GAAMAPT
Boric Acid SCHEMBL1568581 0.76 LIPG (0.43) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL6801063 0.76 FBP1 (0.37) FBP1S1PR2S1PR4S1PR1S1PR3
SCHEMBL6798141 0.74 FBP1 (0.35) FBP1HDAC1KDM4EALDH1A1NPC1
SCHEMBL8573651 0.74 DPP4 (0.42) LTA4HKDM4EALDH1A1NPC1RAB9A
SCHEMBL6802255 0.72 HDAC1 (0.39) FBP1CA12CA1CA2MMP2
SCHEMBL2318487 0.70 TAAR1 (0.50) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL8013857 0.70 LTA4H (0.46) LTA4HKDM4EALDH1A1NPC1RAB9A
SCHEMBL13888687 0.70 DPP4 (0.55) FBP1S1PR2S1PR4S1PR1S1PR3
SCHEMBL13888685 0.70 DPP4 (0.55) FBP1S1PR2S1PR4S1PR1S1PR3

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 810/4885S1PR2 706/4885S1PR4 583/4885

“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.