SCHEMBL4304302

SCHEMBL4304302

CC1=C(CCO)C(C)(C)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
RARA P10276 1/20 0.45
RXRA P19793 1/20 0.45
ACHE P22303 1/20 0.43
TRPA1 O75762 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX5 P09917 1/20 0.40
ACE2 Q9BYF1 4/20 0.39
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
CYP1A2 P05177 1/20 0.39
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL7185668 0.85 ALDH1A1 (0.45) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL9266425 0.85 ALDH1A1 (0.45) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL29965248 0.85 ALDH1A1 (0.45) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL7017316 0.85 ALDH1A1 (0.45) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL4666701 0.83 ALDH1A1 (0.44) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL22627382 0.81 MEN1 (0.59) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL21574083 0.81 MEN1 (0.46) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL31502587 0.80 ALDH1A1 (0.46) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL3148661 0.79 MEN1 (0.44) ALDH1A1MAPTGAANPSR1MEN1
SCHEMBL3186206 0.78 ALDH1A1 (0.44) ALDH1A1MAPTGAANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164377-B1 PRINS REACTION ON HINDERED SUBSTRATES FIRMENICH & CIE (CH) 2022-06-08 EP disclosed
CN-106488900-B Prins reaction on hindered substrates 弗门尼舍有限公司 2020-06-09 CN disclosed
US-9926249-B2 Prins reaction on hindered substrates FIRMENICH SA (CH) 2018-03-27 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170129834-A1 PRINS REACTION ON HINDERED SUBSTRATES FIRMENICH SA (CH) 2017-05-11 US disclosed
EP-3164377-A1 PRINS REACTION ON HINDERED SUBSTRATES Firmenich SA (CH) 2017-05-10 EP disclosed
WO-2016001286-A1 PRINS REACTION ON HINDERED SUBSTRATES FIRMENICH SA (CH) 2016-01-07 WO disclosed
WO-2011143651-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 WO disclosed
WO-2009114136-A2 FENRETINIDE DERIVATIVES AND USES THEREOF AS THERAPEUTIC, DIAGNOSTIC AND IMAGING AGENTS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2009-09-17 WO 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-20170129834-A1 PRINS REACTION ON HINDERED SUBSTRATES ADH1C, ADH5, ADH1A ALDH1A1 4/4885MAPT 2548/4885GAA 2987/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 ALDH1A1 2824/4885MAPT 3666/4885GAA 1762/4885

“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.