SCHEMBL15423955

SCHEMBL15423955

CC(C)CC(O)C(C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ANPEP P15144 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4577882 0.81 TSHR (0.33) TSHRALDH1A1MAPK1ANPEPRNPEP
SCHEMBL11890301 0.80
SCHEMBL107498 0.80
SCHEMBL11890306 0.80
SCHEMBL108359 0.79 TSHR (0.50) TSHRALDH1A1MAPK1ANPEPRNPEP
SCHEMBL7165294 0.75 TSHR (0.33) TSHRALDH1A1MAPK1ANPEPRNPEP
SCHEMBL25907639 0.75 TSHR (0.33) TSHRALDH1A1MAPK1ANPEPRNPEP
SCHEMBL105046 0.75 TSHR (0.33) TSHRALDH1A1MAPK1ANPEPRNPEP
SCHEMBL25907640 0.75 TSHR (0.33) TSHRALDH1A1MAPK1ANPEPRNPEP
SCHEMBL13742376 0.75 TSHR (0.33) TSHRALDH1A1MAPK1ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573886-B Method for producing cyclic alpha-ketols from cyclic alpha-ketoenols 巴斯夫欧洲公司 2020-10-30 CN disclosed
EP-3180311-B1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2019-04-17 EP disclosed
US-10017464-B2 Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols BASF SE (DE) 2018-07-10 US disclosed
US-10017465-B2 Method for producing astaxanthin from astacin BASF SE (DE) 2018-07-10 US disclosed
US-20170233338-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2017-08-17 US disclosed
US-20170217884-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS BASF SE (DE) 2017-08-03 US disclosed
EP-3180311-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2017-06-21 EP disclosed
EP-3180310-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS BASF SE (DE) 2017-06-21 EP disclosed
WO-2016023772-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS BASF SE (DE) 2016-02-18 WO disclosed
WO-2016023732-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2016-02-18 WO disclosed
WO-2015159033-A1 PROCESS FOR PREPARING NATURAL MINERAL ACIDS, AND USE OF THE OBTAINED ACIDS IN ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-10-22 WO disclosed
WO-2014012054-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATENT PAIN THERAPEUTICS, INC. (US) 2014-01-16 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 (4 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-20170233338-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN ADH1B, ADH5, ADH7 TSHR 3210/4885ALDH1A1 179/4885MAPK1 4698/4885
US-10017465-B2 Method for producing astaxanthin from astacin ADH1B, ADH5, ADH7 TSHR 3210/4885ALDH1A1 179/4885MAPK1 4698/4885
US-20170217884-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS AKR1C3, AKR1C2, AKR1A1 TSHR 3170/4885ALDH1A1 198/4885MAPK1 4189/4885
US-10017464-B2 Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols AKR1C3, AKR1C2, AKR1A1 TSHR 3170/4885ALDH1A1 198/4885MAPK1 4189/4885

“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.