SCHEMBL31748825

SCHEMBL31748825

COc1ccc2c(c1)CCC(C1CCCCC1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.64
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
HTR2B P41595 2/20 0.64
SIGMAR1 Q99720 2/20 0.64
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 1/20 0.52
CYP24A1 Q07973 6/20 0.52
CYP27A1 Q02318 3/20 0.52
CYP26A1 O43174 3/20 0.52
CYP19A1 P11511 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
SRD5A1 P18405 2/20 0.46
METAP1 P53582 2/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL13039619 0.90 DRD2 (0.60) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7271049 0.79 CYP24A1 (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL630841 0.79 ACHE (0.58) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL27393934 0.79 DRD2 (0.51) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL28923400 0.78 DRD2 (0.58) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5753017 0.78 CYP24A1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL22867686 0.78 CYP24A1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL2440274 0.78 CYP24A1 (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3587277 0.78 CYP24A1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL1813880 0.77 CYP24A1 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-12-25 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-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF ESRRA, ESRRB, ESR2 DRD2 2682/4885HTR2A 859/4885HTR2C 771/4885

“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.