SCHEMBL800045

SCHEMBL800045

Cc1cc(O)c(C(C)C)c(=O)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
ANTXR2 P58335 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ELANE P08246 2/20 0.44
MAOA P21397 1/20 0.43
HTT P42858 2/20 0.43
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.39
NQO1 P15559 1/20 0.38
GAA P10253 3/20 0.38
ALOX12 P18054 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7616307 0.78 MAPT (0.46) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL6174518 0.78 VKORC1 (0.55) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL20286037 0.78 CA1 (0.40) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL805313 0.74 MAPT (0.50) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL6172211 0.72 MAPT (0.47) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL6174415 0.72 CYP2C9 (0.58) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL6173554 0.72 MAPT (0.47) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL6174417 0.72 CYP2C9 (0.58) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL11794883 0.72 MEN1 (0.44) MAPTMCL1ALDH1A1MEN1KMT2A
SCHEMBL7607429 0.72 FFAR1 (0.53) MAPTALDH1A1MEN1KMT2ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-08 US disclosed
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-08 US disclosed
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2015-01-22 US disclosed
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2012-03-22 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 (3 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-20120070369-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 MAPT 4004/4885MCL1 262/4885ALDH1A1 595/4885
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 MAPT 4004/4885MCL1 262/4885ALDH1A1 595/4885
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 MAPT 4004/4885MCL1 262/4885ALDH1A1 595/4885

“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.