SCHEMBL3797170

SCHEMBL3797170

O=C(CCN1CCCC1)Oc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
HRH3 Q9Y5N1 4/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 2/20 0.54
HTR6 P50406 2/20 0.54
PIN1 Q13526 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GCGR P47871 2/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FAAH O00519 2/20 0.46
DRD2 P14416 2/20 0.46
CNR1 P21554 2/20 0.46
DRD3 P35462 2/20 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
SCHEMBL3789682 0.99 HRH3 (0.56) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL3796068 0.88 CYP2C19 (0.56) KMT2AL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12550929 0.87 PIN1 (0.45) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL27974790 0.84 HRH3 (0.52) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL11370297 0.82 ALDH1A1 (0.59) TDP1PIN1KMT2AMEN1RAB9A
SCHEMBL25244833 0.79 ALDH1A1 (0.56) TDP1PIN1KMT2AMEN1RAB9A
SCHEMBL11304827 0.77 ALDH1A1 (0.54) TDP1PIN1KMT2AMEN1RAB9A
SCHEMBL21275376 0.77 HTR1B (0.54) TDP1PIN1KMT2AMEN1RAB9A
SCHEMBL11018495 0.77 ALDH1A1 (0.54) TDP1PIN1KMT2AMEN1RAB9A
SCHEMBL29373398 0.77 ALDH1A1 (0.58) TDP1KMT2AMEN1RAB9AL3MBTL1

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 TDP1 4524/4885HRH3 643/4885HTR2A 2565/4885

“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.