Sugi Predict

Sugi Predict / Compounds / SCHEMBL13520147

SCHEMBL13520147

SCHEMBL13520147

CCOP(=O)(Cc1ccc2c(c1)sc1c3ccc(CP(=O)(OCC)OCC)cc3sc21)OCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.37
▸ HDAC1 Q13547 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CCNT1 O60563 5/20 0.34
▸ CDK9 P50750 5/20 0.34
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ MAPK1 P28482 1/20 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
SCHEMBL13520156 0.90 NPY5R (0.32) NPY5RHDAC1CCNT1CDK9EGFR
SCHEMBL3127731 0.80 NPC1 (0.33) HDAC1MAPTTSHRMAPK1
SCHEMBL10018351 0.79 NPY5R (0.32) NPY5RHDAC1CCNT1CDK9EGFR
SCHEMBL3375825 0.76 TSHR (0.50) NPY5RHDAC1MAPTPOLBCCNT1
SCHEMBL9166658 0.75 NPY5R (0.42) NPY5RHDAC1MAPTPOLBCCNT1
SCHEMBL3390402 0.73 CCNT1 (0.46) NPY5RHDAC1MAPTCCNT1CDK9
SCHEMBL10031393 0.73 NPC1 (0.46) MAPTHTTTSHRMAPK1
SCHEMBL20971749 0.72 MAPT (0.41) NPY5RHDAC1MAPTPOLBCCNT1
SCHEMBL13525456 0.72 NPY5R (0.40) NPY5RHDAC1MAPTPOLBCCNT1
SCHEMBL13913134 0.72 TSHR (0.50) NPY5RMAPTPOLBCCNT1CDK9

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-8362464-B2 Organic nanofiber structure based on self-assembled organogel, organic nanofiber transistor using the same, and method of manufacturing the organic nanofiber transistor SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-01-29 — — US disclosed
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same SAMSUNG ELECTRONICS CO., LTD. 2010-01-14 — — US disclosed
US-20100006824-A1 ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-01-14 — — 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 (2 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-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same BPNT1, TST, SULT1E1 NPY5R 4721/4885HDAC1 2032/4885MAPT 624/4885
US-20100006824-A1 ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR GAP43, NOTCH4, OGA NPY5R 4480/4885HDAC1 4083/4885MAPT 126/4885

“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.