SCHEMBL2301644

SCHEMBL2301644

CCCCOCc1ccc(CO)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LTA4H P09960 2/20 0.37
NR5A1 Q13285 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ESR1 P03372 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL16834717 0.93 MEN1 (0.43) TSHRLTA4HNR5A1ALDH1A1TDP1
SCHEMBL16834549 0.93 MEN1 (0.43) TSHRLTA4HNR5A1ALDH1A1TDP1
SCHEMBL16834672 0.93 MEN1 (0.43) TSHRLTA4HNR5A1ALDH1A1TDP1
SCHEMBL28158410 0.91 TSHR (0.40) TSHRLTA4HNR5A1ALDH1A1CYP3A4
SCHEMBL17262613 0.89 ALDH1A1 (0.37) TSHRLTA4HALDH1A1TDP1NPC1
SCHEMBL19441385 0.87 TSHR (0.38) TSHRLTA4HNR5A1ALDH1A1CYP3A4
SCHEMBL13350505 0.85 ALOX5 (0.41) TSHRLTA4HNR5A1ALDH1A1CYP3A4
SCHEMBL17693427 0.85 ALDH1A1 (0.42) TSHRALDH1A1TDP1NPC1RAB9A
SCHEMBL17693435 0.84 ALDH1A1 (0.36) TSHRALDH1A1TDP1NPC1RAB9A
SCHEMBL3654147 0.84 TSHR (0.36) TSHRLTA4HNR5A1ALDH1A1CYP3A4

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989094-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES Archer Daniels Midland Company (US) 2016-03-02 EP claimed
US-20160052902-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ARCHER DANIELS MIDLAND CO (US) 2016-02-25 US claimed
WO-2014175989-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ARCHER DANIELS MIDLAND COMPANY (US) 2014-10-30 WO claimed
CN-105801528-B With metal catalyst reduction HMF ether 阿彻丹尼尔斯米德兰德公司 2019-06-21 CN disclosed
US-9783516-B2 Reduction of HMF ethers with metal catalyst ARCHER DANIELS MIDLAND CO. (US) 2017-10-10 US disclosed
US-9783516-B2 Reduction of HMF ethers with metal catalyst ARCHER DANIELS MIDLAND CO. (US) 2017-10-10 US disclosed
EP-3142966-A1 HYDROGENATION OF OXYGENATED MOLECULES FROM BIOMASS REFINING Virdia, Inc. (US) 2017-03-22 EP disclosed
CN-103626639-B With metal catalyst reduction HMF ether 阿彻丹尼尔斯米德兰德公司 2016-12-07 CN disclosed
US-20160297788-A1 REDUCTION OF HMF ETHERS WITH METAL CATALYST ARCHER DANIELS MIDLAND CO (US) 2016-10-13 US disclosed
US-20160297788-A1 REDUCTION OF HMF ETHERS WITH METAL CATALYST ARCHER DANIELS MIDLAND CO (US) 2016-10-13 US disclosed
US-9422258-B2 Reduction of HMF ethers with metal catalyst ARCHER DANIELS MIDLAND COMPANY (US) 2016-08-23 US disclosed
CN-103626639-A Reduction of HMF ethers with metal catalyst ARCHER DANIELS MIDLAND CO 2014-03-12 CN disclosed
US-20120261618-A1 REDUCTION OF HMF ETHERS WITH METAL CATALYST ARCHER DANIELS MIDLAND COMPANY (US) 2012-10-18 US disclosed
CN-102177146-A Reduction of HMF ethers with metal catalysts ARCHER DANIELS MIDLAND CO 2011-09-07 CN disclosed
EP-2350035-A2 REDUCTION OF HMF ETHERS WITH METAL CATALYST Archer Daniels Midland Company (US) 2011-08-03 EP disclosed
WO-2010062689-A2 REDUCTION OF HMF ETHERS WITH METAL CATALYST ARCHER DANIELS MIDLAND COMPANY (US) 2010-06-03 WO disclosed
WO-2010062689-A2 REDUCTION OF HMF ETHERS WITH METAL CATALYST ARCHER DANIELS MIDLAND COMPANY (US) 2010-06-03 WO disclosed
US-20090018300-A1 MONOMERS AND POLYMERS FROM BIODERIVED CARBON ARCHER-DANIELS-MIDLAND COMPANY (US) 2009-01-15 US disclosed
US-20090018300-A1 MONOMERS AND POLYMERS FROM BIODERIVED CARBON ARCHER-DANIELS-MIDLAND COMPANY (US) 2009-01-15 US disclosed
US-20090018300-A1 MONOMERS AND POLYMERS FROM BIODERIVED CARBON ARCHER-DANIELS-MIDLAND COMPANY (US) 2009-01-15 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-20160297788-A1 REDUCTION OF HMF ETHERS WITH METAL CATALYST PHF2, ZRANB2, TERF2 TSHR 2837/4885LTA4H 3370/4885NR5A1 1295/4885
US-20120261618-A1 REDUCTION OF HMF ETHERS WITH METAL CATALYST PHF2, ZRANB2, TERF2 TSHR 2753/4885LTA4H 3405/4885NR5A1 1214/4885
US-20160052902-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ADH5, FASN, ADH1C TSHR 3989/4885LTA4H 462/4885NR5A1 1016/4885

“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.