SCHEMBL26413557

SCHEMBL26413557

Cc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
TSHR P16473 1/20 0.49
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL26413553 0.91 TSHR (0.49) CES2CES1TSHRMAPTSMN1; SMN2
SCHEMBL26413414 0.90 CASP6 (0.46) CES2CES1MAPTSMN1; SMN2ALDH1A1
SCHEMBL26413536 0.89 OPRM1 (0.40) CES2CES1TSHRMAPTSMN1; SMN2
SCHEMBL26413430 0.88 KMT2A (0.39) CES2CES1TSHRMAPTSMN1; SMN2
SCHEMBL26413561 0.87 GAA (0.52) TSHRMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL26478650 0.87 MAPT (0.46) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL26413388 0.87 VCAM1 (0.51) MAPTSMN1; SMN2ALDH1A1NPSR1HTT
SCHEMBL26413591 0.86 HCAR3 (0.52) MAPTSMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL26413428 0.86 GPR35 (0.36) KMT2AMAPK1GAA
SCHEMBL24944251 0.85 MAPT (0.37) MAPTALDH1A1NPSR1KMT2AMAPK1

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-11644753-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-09 US disclosed
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 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-11644753-B2 Resist composition and patterning process HNRNPU, NSUN2, HNRNPR CES2 3990/4885CES1 4834/4885TSHR 3385/4885

“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.