SCHEMBL20005673

SCHEMBL20005673

CCOc1cc(C)ccc1OC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MAPT P10636 5/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 3/20 0.53
NPC1 O15118 1/20 0.53
MITF O75030 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 2/20 0.52
HSD11B1 P28845 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL31321613 1.00 KMT2A (0.58) KMT2AMAPTALDH1A1HPGDCYP1A2
SCHEMBL31321623 0.91 KMT2A (0.64) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL31321712 0.88 KMT2A (0.58) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL498193 0.88 KMT2A (0.53) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL31321681 0.87 KMT2A (0.57) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL31321621 0.87 KMT2A (0.59) KMT2AMAPTALDH1A1HPGDCYP1A2
SCHEMBL31321668 0.86 HSD11B1 (0.62) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL11338161 0.85 ESR1 (0.60) KMT2AMAPTALDH1A1HPGDCYP1A2
SCHEMBL31321677 0.85 KMT2A (0.57) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL31321700 0.84 L3MBTL1 (0.61) KMT2AMAPTALDH1A1HPGDMEN1

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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 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 (2 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 KMT2A 470/4885MAPT 3938/4885ALDH1A1 2177/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 KMT2A 470/4885MAPT 3938/4885ALDH1A1 2177/4885

“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.