SCHEMBL1106446

SCHEMBL1106446

COCCCOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 1/20 0.31
GAA P10253 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
SCHEMBL8130829 0.94 ALDH1A1 (0.37) ALDH1A1MAPK1GAA
SCHEMBL12889782 0.92 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10717480 0.87 MAPK1 (0.36) ALDH1A1MAPK1
SCHEMBL22332103 0.87 CYP4F2 (0.35) ALDH1A1
Butanone SCHEMBL6320301 0.82 ALDH1A1 (0.40) ALDH1A1
SCHEMBL824022 0.81
SCHEMBL10932413 0.81 MAPK1 (0.36) ALDH1A1MAPK1
SCHEMBL20314559 0.79 CYP4F2 (0.35) MAPK1
SCHEMBL20314555 0.79 CYP4F2 (0.35) MAPK1
SCHEMBL20314556 0.79 CYP4F2 (0.35) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230235332-A1 TREATMENT OF NEUROLOGICAL DISEASES USING MODULATORS OF GENE TRANSCRIPTS QURALIS CORPORATION 2023-07-27 US disclosed
US-20230137245-A1 NEW FROTHERS FOR MINERALS RECOVERY SOLVAY SA (BE) 2023-05-04 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-0763524-B1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO CO (JP) 2000-08-23 EP disclosed
US-6040339-A TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA OR ARTERIOSCLEROSIS IN A MAMMAL SANKYO COMPANY, LIMITED (JP) 2000-03-21 US disclosed
US-5880147-A Amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prohylactic use SANKYO COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP 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 (5 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885MAPK1 2929/4885GAA 511/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 ALDH1A1 132/4885MAPK1 3042/4885GAA 3888/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885MAPK1 2929/4885GAA 511/4885
US-20230137245-A1 NEW FROTHERS FOR MINERALS RECOVERY FLOT1, SFXN1, AFF1 ALDH1A1 3036/4885MAPK1 3976/4885GAA 1995/4885
US-20230235332-A1 TREATMENT OF NEUROLOGICAL DISEASES USING MODULATORS OF GENE TRANSCRIPTS STMN2, STMN1, PSEN2 ALDH1A1 4116/4885MAPK1 4681/4885GAA 698/4885

“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.