SCHEMBL20005692

SCHEMBL20005692

CCOc1cc(C)ccc1OCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
IGF1R P08069 1/20 0.53
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HMGCR P04035 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
SCHEMBL18715373 0.87 NPC1 (0.60) KDM4EPOLBLMNAGAATDP1
SCHEMBL18715501 0.87 GAA (0.56) KDM4EPOLBLMNAGAATDP1
SCHEMBL7803228 0.84 IGF1R (0.53) POLBIGF1RLMNAALDH1A1GLA
SCHEMBL14363092 0.84 L3MBTL1 (0.67) KDM4EPOLBTDP1RAB9ASMN1; SMN2
SCHEMBL28243840 0.82 TDP1 (0.70) KDM4EPOLBLMNAGAATDP1
SCHEMBL28827968 0.82 HPGD (0.62) KDM4EPOLBLMNAGAATDP1
SCHEMBL5317080 0.82 L3MBTL1 (0.68) POLBIGF1RLMNAGAASMN1; SMN2
SCHEMBL2719391 0.81 ALDH1A1 (0.68) KDM4EPOLBLMNAGAATDP1
SCHEMBL805356 0.81 MAPT (0.61) KDM4EPOLBGAATDP1NPC1
SCHEMBL31376482 0.80 MAPT (0.61) KDM4EPOLBLMNATDP1NPC1

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 KDM4E 422/4885POLB 1009/4885IGF1R 1433/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 KDM4E 422/4885POLB 1009/4885IGF1R 1433/4885

“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.