SCHEMBL9893898

SCHEMBL9893898

CCOC(=O)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
F10 P00742 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9893361 0.85 LOXL2 (0.42) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL1997052 0.84 CA1 (0.49) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL13571463 0.82 RXRA (0.40) KMT2ACA12CA1CA2CA9
SCHEMBL1859200 0.81 CYP2C19 (0.51) ALDH1A1TSHRKMT2ACA12CA1
SCHEMBL22960549 0.81 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL15192320 0.80 ATM (0.46) ALDH1A1CA1CA2SMN1; SMN2LMNA
SCHEMBL12475742 0.79 HDAC8 (0.45) F10ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL361141 0.79 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1TSHRKMT2A
SCHEMBL364762 0.78 PPARA (0.47) F10ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL4429925 0.77 HSD17B10 (0.41) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD

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-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CYP4F2 2247/4885CYP4A11 2779/4885F10 3589/4885

“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.