SCHEMBL326830

SCHEMBL326830

CC1(C)NCCc2cc(O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.46
ESR1 P03372 3/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD1 P21728 3/20 0.44
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 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
SCHEMBL31505344 1.00 ESR2 (0.46) ESR2ESR1DRD2DRD4ALDH1A1
SCHEMBL12549679 0.80 PARP10 (0.42) ALDH1A1MAPTRECQLTDP1CYP3A4
SCHEMBL1952868 0.79 MAPT (0.39) ALDH1A1MAPTRECQLTDP1CYP3A4
SCHEMBL29554315 0.79 MAPT (0.39) ALDH1A1MAPTRECQLTDP1CYP3A4
SCHEMBL25287433 0.79 HTR2C (0.42) ALDH1A1MAPTRECQLTDP1CYP3A4
SCHEMBL11888458 0.78 ALDH1A1 (0.63) DRD2DRD4ALDH1A1MAPTRECQL
SCHEMBL5306224 0.77 DRD2 (0.46) ESR2ESR1DRD2DRD4ALDH1A1
Hydrochloric Acid SCHEMBL21326128 0.77 MAPT (0.38) ALDH1A1MAPTRECQLTDP1CYP3A4
SCHEMBL19454256 0.77 NR3C1 (0.44) ESR2ESR1DRD2DRD4ALDH1A1
SCHEMBL20883895 0.76 ALDH1A1 (0.36) ALDH1A1MAPTRECQLTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101738-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE PRELUDE THERAPEUTICS INCORPORATED (US) 2025-05-15 WO disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
EP-2590910-A2 FLUORINE RADIOLABELLING PROCESS Isis Innovation Limited (GB) 2013-05-15 EP disclosed
WO-2012004567-A2 FLUORINE RADIOLABELLING PROCESS ISIS INNOVATION LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004567-A2 FLUORINE RADIOLABELLING PROCESS ISIS INNOVATION LIMITED (GB) 2012-01-12 WO 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-20130190529-A1 Fluorine Radiolabelling Process ESRRG, NR5A2, RXFP4 ESR2 36/4885ESR1 78/4885DRD2 318/4885

“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.