SCHEMBL3789682

SCHEMBL3789682

O=C(CCN1CCCCC1)Oc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
HTR2A P28223 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
PIN1 Q13526 1/20 0.47
ABCB1 P08183 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GFER P55789 1/20 0.47
GCGR P47871 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL3797170 0.99 TDP1 (0.57) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL3796068 0.87 CYP2C19 (0.56) KMT2AALDH1A1ABCB1L3MBTL1SMN1; SMN2
SCHEMBL27974790 0.86 HRH3 (0.52) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL12550929 0.86 PIN1 (0.45) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL11370297 0.81 ALDH1A1 (0.59) TDP1KMT2AALDH1A1PIN1MEN1
SCHEMBL27863067 0.78 HTR1A (0.48) KMT2AALDH1A1ABCB1MEN1L3MBTL1
SCHEMBL25244833 0.78 ALDH1A1 (0.56) TDP1KMT2AALDH1A1PIN1MEN1
SCHEMBL11304827 0.76 ALDH1A1 (0.54) TDP1KMT2AALDH1A1PIN1MEN1
SCHEMBL21275376 0.76 HTR1B (0.54) TDP1KMT2AALDH1A1PIN1MEN1
SCHEMBL29373398 0.76 ALDH1A1 (0.58) TDP1KMT2AALDH1A1MEN1RAB9A

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 HRH3 643/4885HTR2A 2565/4885HTR7 2005/4885

“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.