SCHEMBL9679247

SCHEMBL9679247

CC(C)COC(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 1/20 0.55
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46
HTT P42858 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
NHERF1 O14745 1/20 0.46

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
SCHEMBL9422398 0.95 ALDH1A1 (0.50) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL9678851 0.91 PLA2G1B (0.47) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL9678846 0.91 PLA2G1B (0.47) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL110051 0.90 ALDH1A1 (0.64) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL9805693 0.89 PLA2G1B (0.46) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL13249515 0.88 KDM4E (0.53) ALDH1A1PLA2G1BATG4BMAPTHPGD
SCHEMBL1784867 0.88 KDM4E (0.53) ALDH1A1PLA2G1BATG4BMAPTHPGD
SCHEMBL5167985 0.83 CA12 (0.63) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL6057162 0.83 ADRB2 (0.64) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL34633 0.83 ADRB2 (0.64) ALDH1A1TSHRPLA2G1BATG4BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 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-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885TSHR 19/4885PLA2G1B 903/4885

“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.