SCHEMBL23966140

SCHEMBL23966140

CCC(C)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.57
ALOX15 P16050 2/20 0.57
ALOX12 P18054 2/20 0.57
CA2 P00918 1/20 0.57
ATM Q13315 2/20 0.50
FOS P01100 1/20 0.50
TTR P02766 1/20 0.50
JUN P05412 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NR3C1 P04150 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
STAT3 P40763 1/20 0.47
POLB P06746 2/20 0.47
CYP19A1 P11511 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL21503477 0.84 FOS (0.46) LDHAALOX15ALOX12FOSTTR
SCHEMBL13908022 0.84 MEN1 (0.49) LDHAALOX15ALOX12FOSTTR
SCHEMBL11218889 0.84 ALOX15 (0.46) LDHAALOX15ALOX12FOSTTR
SCHEMBL23263167 0.84 FOS (0.73) ALOX15ALOX12ATMFOSTTR
SCHEMBL13003651 0.84 ALOX15 (0.46) LDHAALOX15ALOX12FOSTTR
SCHEMBL9026890 0.84 LDHA (0.60) LDHAALOX15ALOX12CA2ATM
SCHEMBL10558447 0.84 ATM (0.58) LDHAALOX15ALOX12CA2ATM
SCHEMBL5494607 0.84 LDHA (0.60) LDHAALOX15ALOX12CA2ATM
Terameprocol SCHEMBL194588 0.82 ALOX15 (0.77) LDHAALOX15ALOX12CA2ATM
Terameprocol SCHEMBL2356280 0.82 ALOX15 (0.77) LDHAALOX15ALOX12CA2ATM

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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
EP-3904331-A1 NANOPARTICLE, CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING COMPRISING SAME AND ZWITTERIONIC LIGAND COMPOUND Astellas Pharma Inc. (JP) 2021-11-03 EP 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 LDHA 2587/4885ALOX15 745/4885ALOX12 491/4885

“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.