SCHEMBL18663408

SCHEMBL18663408

CCc1ccc2c(c1CC)C(C(=O)O)(C(=O)O)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PDK2 Q15119 12/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ HDAC4 P56524 1/20 0.33

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
SCHEMBL18663321 0.81 ELANE (0.38) THRBTDP1PDK2APEX1
SCHEMBL19690596 0.80 BID (0.41) —
SCHEMBL18663353 0.74 TDP1 (0.44) THRBTDP1PDK2APEX1
SCHEMBL18663304 0.73 THRB (0.64) THRBTDP1PDK2APEX1
SCHEMBL2709811 0.73 THRB (0.55) THRBTDP1PDK2APEX1HDAC4
SCHEMBL18663338 0.70 THRB (0.40) THRBTDP1PDK2APEX1CYP2D6
SCHEMBL19690414 0.69 PDK2 (0.34) THRBTDP1PDK2
SCHEMBL23746045 0.67 CYP2D6 (0.50) THRBTDP1PDK2APEX1CYP2D6
SCHEMBL28515223 0.67 THRB (0.45) THRBTDP1PDK2APEX1CYP2D6
Bicarbonate SCHEMBL28365018 0.66 FOLH1 (0.50) —

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-20170088642-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF BEIJING LIHE TECH LTD (CN) 2017-03-30 — — US claimed

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-20170088642-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF TEC, DGAT2, MOGAT2 THRB 3945/4885TDP1 2480/4885PDK2 370/4885

“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.

Send feedback