SCHEMBL800731

SCHEMBL800731

CC1(C)CC(=O)C=C(C(C)(C)C)S1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL805305 0.72 ALDH1A1 (0.35) ALDH1A1MAPTHPGDGAAMEN1
SCHEMBL800052 0.68 ALDH1A1 (0.32) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10428044 0.66 POLB (0.33) ALDH1A1MAPTHPGD
SCHEMBL18944225 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12341078 0.60
SCHEMBL12445270 0.60 ALDH1A1 (0.32) ALDH1A1MAPTHPGDGAAMEN1
SCHEMBL20322375 0.58
SCHEMBL780956 0.57
SCHEMBL1515964 0.57 ALDH1A1 (0.50) ALDH1A1MAPTHPGDGAAMEN1
SCHEMBL11244350 0.55

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 5 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-9604958-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2017-03-28 US disclosed
US-9604958-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2017-03-28 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 ALDH1A1 595/4885MAPT 4004/4885HPGD 101/4885
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 595/4885MAPT 4004/4885HPGD 101/4885
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 595/4885MAPT 4004/4885HPGD 101/4885

“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.