SCHEMBL3799296

SCHEMBL3799296

O=C(CCn1c(-c2ccccc2)nc2ccccc21)Oc1cccc2ccccc12

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 13/20 0.86
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.46
SLC12A2 P55011 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC12A5 Q9H2X9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL28372581 0.93 PIN1 (1.00) PIN1
SCHEMBL5884114 0.80 HPGD (0.65) PIN1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL9694037 0.78 KDM4E (0.73) PIN1KDM4EHSD17B10HPGDKMT2A
SCHEMBL3793401 0.76 AGER (0.60) PIN1KDM4EL3MBTL1
SCHEMBL501298 0.76 PIN1 (0.57) PIN1KDM4EHSD17B10HPGD
SCHEMBL22769585 0.73 KDM4E (0.62) PIN1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL28885491 0.73 PIN1 (1.00) PIN1KDM4E
SCHEMBL11370297 0.73 ALDH1A1 (0.59) PIN1KDM4EHSD17B10HPGDKMT2A
SCHEMBL22965159 0.73 KDM4E (0.69) PIN1KDM4EHSD17B10HPGDKMT2A
SCHEMBL28377395 0.72 PIN1 (0.83) PIN1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283104-B2 Sulfonate and its derivative, photosensitive acid generator, and resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
US-20100209827-A1 NOVEL SULFONATE AND ITS DERIVATIVE, PHOTOSENSITIVE ACID GENERATOR, AND RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-19 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-20100209827-A1 NOVEL SULFONATE AND ITS DERIVATIVE, PHOTOSENSITIVE ACID GENERATOR, AND RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME DAP3, MRPS23, ASIC3 PIN1 1115/4885KDM4E 3897/4885HSD17B10 3193/4885

“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.