SCHEMBL31545950

SCHEMBL31545950

O=C1COCC(c2ccccc2Br)OC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
BRD4 O60885 1/20 0.36
KDM1A O60341 1/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.32
RAB9A P51151 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL10300817 0.78 HTR2C (0.47) HTR2CHTR2BBRD4KDM1ASLC6A2
SCHEMBL30036946 0.78 HTR2C (0.47) HTR2CHTR2BBRD4KDM1ASLC6A2
SCHEMBL7440746 0.78 HTR2C (0.47) HTR2CHTR2BBRD4KDM1ASLC6A2
SCHEMBL5853841 0.78 HTR2C (0.41) HTR2CHTR2BBRD4KDM1ASLC6A2
SCHEMBL2177894 0.76 HTR2C (0.40) HTR2CHTR2BBRD4KDM1ASLC6A2
SCHEMBL31546120 0.74 CYP3A4 (0.33) CYP3A4
SCHEMBL31546200 0.72 CYP2A13 (0.36) KDM1A
SCHEMBL27201603 0.71 PRKAB2 (0.39) HTR2CHTR2BBRD4KDM1ASLC6A2
SCHEMBL4750478 0.68 HTR2C (0.42) HTR2CHTR2BBRD4KDM1ASLC6A2
SCHEMBL16463878 0.68 HTR2C (0.39) HTR2CHTR2BBRD4KDM1ASLC6A2

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-20250090440-A1 NOVEL CYCLIC ACETAL COMPOUNDS WITH ALDEHYDE OR KETONE FUNCTIONALITIES AND USES THEREOF Structure Holdings, LLC (US) 2025-03-20 US claimed
US-20250090440-A1 NOVEL CYCLIC ACETAL COMPOUNDS WITH ALDEHYDE OR KETONE FUNCTIONALITIES AND USES THEREOF Structure Holdings, LLC (US) 2025-03-20 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-20250090440-A1 NOVEL CYCLIC ACETAL COMPOUNDS WITH ALDEHYDE OR KETONE FUNCTIONALITIES AND USES THEREOF OR51E2, TAS2R5, TRPA1 HTR2C 1533/4885HTR2B 1911/4885BRD4 1723/4885

“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.