SCHEMBL30519841

SCHEMBL30519841

O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
PDK2 Q15119 10/20 0.55
AKR1A1 P14550 1/20 0.47
AKR1B1 P15121 1/20 0.47
FABP4 P15090 3/20 0.42
S100A4 P26447 1/20 0.41
HSP90AA1 P07900 1/20 0.40
FABP5 Q01469 1/20 0.39

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
SCHEMBL68561 1.00 THRB (0.70) THRBTDP1PDK2AKR1A1AKR1B1
SCHEMBL120476 0.91 THRB (0.53) THRBTDP1PDK2AKR1A1AKR1B1
SCHEMBL8539410 0.89 THRB (0.55) THRBTDP1PDK2AKR1A1AKR1B1
SCHEMBL30488775 0.84 THRB (1.00) THRBTDP1PDK2HSP90AA1
SCHEMBL11469925 0.84 THRB (1.00) THRBTDP1PDK2HSP90AA1
SCHEMBL66735 0.84 THRB (1.00) THRBTDP1PDK2HSP90AA1
SCHEMBL15449183 0.83 PDK2 (0.51) THRBTDP1PDK2AKR1A1AKR1B1
Bromide SCHEMBL27743796 0.82 THRB (0.95) THRBTDP1PDK2HSP90AA1
SCHEMBL8827312 0.81 PDK2 (0.50) THRBTDP1PDK2AKR1A1AKR1B1
SCHEMBL29359326 0.81 PDK2 (0.50) THRBTDP1PDK2AKR1A1AKR1B1

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-20240199600-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING A SULFONAMIDE GROUP OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL INSECTICIDE OR ANIMAL ECTOPARASITE OR ENDOPARASITE CONTROL AGENT COMPRISING THE COMPOUND OR THE SALT THEREOF, AND METHOD FOR USING THE COMPOUND OR THE SALT THEREOF, THE INSECTICIDE, OR THE CONTROL AGENT NIHON NOHYAKU CO., LTD. (JP) 2024-06-20 US disclosed
WO-2023154183-A1 COMPOSITION INCLUDING EFFERVESCENT AGENTS, BIOSTIMULANT, NUTRIENT, AND PESTICIDE ROBBINS JEFFREY (US) 2023-08-17 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-20240199600-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING A SULFONAMIDE GROUP OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL INSECTICIDE OR ANIMAL ECTOPARASITE OR ENDOPARASITE CONTROL AGENT COMPRISING THE COMPOUND OR THE SALT THEREOF, AND METHOD FOR USING THE COMPOUND OR THE SALT THEREOF, THE INSECTICIDE, OR THE CONTROL AGENT HDAC2, HDAC1, HDAC11 THRB 4614/4885TDP1 3592/4885PDK2 2939/4885

“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.