SCHEMBL21705720

SCHEMBL21705720

O=C(OCCN1CCSCC1)c1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
THPO P40225 1/20 0.48
PMP22 Q01453 1/20 0.47
HRH3 Q9Y5N1 4/20 0.43
PTPRF P10586 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
DRD3 P35462 2/20 0.40
BCHE P06276 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL21705257 0.86 KMT2A (0.69) KMT2AHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL21705259 0.84 ALDH1A1 (0.67) KMT2AHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL21705264 0.84 HPGD (0.55) KMT2AHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL21705697 0.83 KMT2A (0.51) KMT2AHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL21783771 0.79 KMT2A (0.39) KMT2AHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL21705609 0.78 KMT2A (0.39) KMT2AHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL21705701 0.78 KMT2A (0.56) KMT2AHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL21783808 0.76 NPSR1 (0.52) KMT2AHPGDHRH3LMNAMEN1
SCHEMBL7712545 0.74 TDP1 (0.65) KMT2AHPGDALDH1A1CYP1A2CYP2D6
SCHEMBL25142025 0.73 ALDH1A1 (0.52) ALDH1A1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11835859-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-05 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-20230129578-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230129578-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-11187980-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-30 US disclosed
US-20200192222-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-06-18 US disclosed
US-20200073237-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-05 US disclosed
US-20200050105-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 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-20200050105-A1 RESIST COMPOSITION AND PATTERNING PROCESS HNRNPU, HNRNPR, ZFR KMT2A 913/4885HPGD 4313/4885ALDH1A1 4859/4885

“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.