SCHEMBL24436737

SCHEMBL24436737

C=CCOc1ccc(OC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA9 Q16790 3/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA14 Q9ULX7 1/20 0.55
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
KDM4E B2RXH2 1/20 0.51
GAA P10253 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGAM O43451 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 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
SCHEMBL22215820 0.95 KDM4E (0.57) ALDH1A1CA12CA1CA9CA2
SCHEMBL28036370 0.86 ALDH1A1 (0.52) ALDH1A1CA12CA1CA9CA2
SCHEMBL7792853 0.84 ALDH1A1 (0.55) ALDH1A1CA12CA1CA9CA2
SCHEMBL3822392 0.82 LMNA (0.50) ALDH1A1CA12CA1CA9CA2
SCHEMBL26975483 0.82 CA2 (0.52) ALDH1A1CA12CA1CA9CA2
SCHEMBL28751364 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL22140233 0.82 ALDH1A1 (0.52) ALDH1A1CA12CA1CA9PPARG
SCHEMBL5878714 0.82 ALDH1A1 (0.49) ALDH1A1CA12CA1CA9PPARG
SCHEMBL5752320 0.82 ALDH1A1 (0.52) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL10753529 0.81 TUBB1 (0.56) ALDH1A1CA12CA1CA9CA2

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-20220153669-A1 CELLULOSIC COMPLEX AND APPLICATIONS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-05-19 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-20220153669-A1 CELLULOSIC COMPLEX AND APPLICATIONS THEREOF CEL, DBF4, NAF1 ALDH1A1 4633/4885CA12 187/4885CA1 675/4885

“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.