SCHEMBL26413444

SCHEMBL26413444

O=C(OC1(c2ccccc2)CCNCC1)c1ccc(S)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
HDAC1 Q13547 1/20 0.39
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
OPRD1 P41143 3/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR2A P28223 1/20 0.35
TACR1 P25103 1/20 0.34
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL24943664 0.90 OPRM1 (0.46) OPRM1HDAC1F2LMNAHTR2A
SCHEMBL26413775 0.87 ALDH1A1 (0.46) OPRM1HDAC1F2LMNAOPRD1
SCHEMBL24944313 0.87 ESR1 (0.42) OPRM1HDAC1F2LMNAOPRD1
SCHEMBL24943754 0.87 SMN1; SMN2 (0.43) OPRM1HDAC1OPRD1OPRK1KCNH2
SCHEMBL24944620 0.86 DRD2 (0.43) OPRM1HDAC1TACR1DRD3KMT2A
SCHEMBL26413644 0.86 PARP10 (0.44) OPRM1HDAC1F2LMNAOPRD1
SCHEMBL24944081 0.86 OPRM1 (0.44) OPRM1HDAC1LMNAOPRD1OPRK1
SCHEMBL24944860 0.86 OPRM1 (0.47) OPRM1HDAC1OPRD1OPRK1KCNH2
SCHEMBL24943674 0.86 NPC1 (0.43) OPRM1HDAC1F2LMNAOPRD1
SCHEMBL26478635 0.86 HDAC1 (0.41) OPRM1HDAC1F2LMNAOPRD1

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-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
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 OPRM1 775/4885HDAC1 2046/4885F2 4673/4885

“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.