SCHEMBL26478761

SCHEMBL26478761

COc1ccc(C(=O)OC2(c3ccccc3)CCNCC2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
OPRM1 P35372 1/20 0.40
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
ESRRA P11474 1/20 0.38

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
SCHEMBL24944094 0.90 NPC1 (0.47) CYP1A2CYP2C19HPGDALDH1A1L3MBTL1
SCHEMBL24944657 0.87 OPRM1 (0.41) CYP1A2CYP2C19CYP2D6HPGDKMT2A
SCHEMBL24943690 0.86 KMT2A (0.43) CYP1A2CYP2C19CYP2D6ALDH1A1HTT
SCHEMBL26478947 0.86 SIGMAR1 (0.39) CYP1A2CYP2C19CYP2D6HPGDALDH1A1
SCHEMBL26478748 0.86 OPRM1 (0.44) HPGDALDH1A1KMT2AOPRM1MEN1
SCHEMBL24944679 0.85 OPRM1 (0.41) CYP2C19L3MBTL1KMT2ACYP3A4OPRM1
SCHEMBL26413647 0.85 HTT (0.48) CYP1A2CYP2D6ALDH1A1HTTGAA
SCHEMBL26478642 0.85 ESR1 (0.42) OPRM1HDAC1
SCHEMBL26478785 0.84 OPRM1 (0.40) CYP1A2CYP2C19CYP2D6HPGDALDH1A1
SCHEMBL24944087 0.84 SIGMAR1 (0.38) HPGDL3MBTL1KMT2AMAPTOPRM1

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-11644753-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-09 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 CYP1A2 4868/4885CYP2C19 4628/4885CYP2D6 4099/4885

“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.