SCHEMBL21657777

SCHEMBL21657777

CCC(=O)Nc1cc(OC)c2c(c1)C(=O)c1cccc(OC)c1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ELANE P08246 7/20 0.49
EGFR P00533 1/20 0.49
PIM1 P11309 1/20 0.49
CTSG P08311 1/20 0.47
NR3C1 P04150 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 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
SCHEMBL16921221 0.89 CYP2C19 (0.48) KMT2AMEN1ALDH1A1MAPTCYP2C19
SCHEMBL15427180 0.89 EGFR (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15427181 0.89 EGFR (0.48) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL15427193 0.89 EGFR (0.48) KMT2AMEN1ALDH1A1MAPTELANE
SCHEMBL16921219 0.87 EGFR (0.46) KMT2AMEN1ELANEEGFRPIM1
SCHEMBL24200569 0.87 TTR (0.53) KMT2AMEN1POLBALDH1A1RAB9A
SCHEMBL16921213 0.86 CYP1A2 (0.56) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL16921215 0.86 EGFR (0.52) KMT2AMEN1POLBALDH1A1RAB9A
SCHEMBL16921220 0.85 CASP3 (0.45) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL16921214 0.85 ELANE (0.49) KMT2AMEN1ALDH1A1MAPTELANE

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-10544090-B2 Anthraquinone analogs and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-01-28 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-10544090-B2 Anthraquinone analogs and methods of making and using thereof PCNA, KRAS, RECQL KMT2A 1122/4885MEN1 677/4885POLB 149/4885

“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.