SCHEMBL605019

SCHEMBL605019

CCCC[C@](C)(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TET2 Q6N021 1/20 0.43
AKR1B1 P15121 1/20 0.40
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
GPR84 Q9NQS5 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL381209 1.00 TSHR (0.43) TSHRALDH1A1TET2AKR1B1CA2
SCHEMBL2103333 1.00 TSHR (0.43) TSHRALDH1A1TET2AKR1B1CA2
SCHEMBL33108 0.92 FDPS (0.46) TSHRALDH1A1AKR1B1PPARGPPARD
SCHEMBL7081692 0.90 FDPS (0.48) TSHRALDH1A1PPARGPPARDPPARA
SCHEMBL438946 0.90 FDPS (0.48) TSHRALDH1A1PPARGPPARDPPARA
SCHEMBL6556927 0.90 FDPS (0.48) TSHRALDH1A1PPARGPPARDPPARA
SCHEMBL35099 0.90 FDPS (0.48) TSHRALDH1A1PPARGPPARDPPARA
SCHEMBL9097992 0.90 FDPS (0.48) TSHRALDH1A1PPARGPPARDPPARA
SCHEMBL3916862 0.90 FDPS (0.48) TSHRALDH1A1PPARGPPARDPPARA
SCHEMBL126859 0.90 FDPS (0.48) TSHRALDH1A1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
EP-1072653-B1 Aqueous ink and its use FRANCOTYP POSTALIA AG (DE) 2005-03-02 EP claimed
EP-1072653-A2 Aqueous ink and its use Francotyp-Postalia Aktiengesellschaft & Co. (DE) 2001-01-31 EP claimed
EP-0198348-B1 PROCESS FOR PREPARING (+)S-2-HYDROXY-2-METHYL-HEXANOIC ACID MILES INC. (US) 1990-01-03 EP claimed
US-4668822-A Method for preparing (+)S-2--hydroxy-2-methyl-hexanoic acid MILES LABORATORIES, INC. (US) 1987-05-26 US claimed
EP-0198348-A2 Process for preparing (+)S-2-hydroxy-2-methyl-hexanoic acid MILES INC. (US) 1986-10-22 EP claimed
US-20150240272-A1 LACTATE PRODUCTION PROCESS PLAXICA LIMITED (GB) 2015-08-27 US disclosed
WO-2014045036-A1 LACTATE PRODUCTION PROCESS PLAXICA LIMITED (GB) 2014-03-27 WO disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-4668822-A Method for preparing (+)S-2--hydroxy-2-methyl-hexanoic acid MILES LABORATORIES, INC. (US) 1987-05-26 US disclosed
US-4668822-A Method for preparing (+)S-2--hydroxy-2-methyl-hexanoic acid MILES LABORATORIES, INC. (US) 1987-05-26 US disclosed
EP-0198348-A2 Process for preparing (+)S-2-hydroxy-2-methyl-hexanoic acid MILES INC. (US) 1986-10-22 EP disclosed
EP-0198348-A2 Process for preparing (+)S-2-hydroxy-2-methyl-hexanoic acid MILES INC. (US) 1986-10-22 EP disclosed
EP-0198348-A2 Process for preparing (+)S-2-hydroxy-2-methyl-hexanoic acid MILES INC. (US) 1986-10-22 EP disclosed
US-4060691-A 7-{3-Hydroxy-2-[4-hydroxy-4-(lower alkyl)-trans-1-octen-1-yl]-5-oxocyclopent-1-yl}heptanoic acids and esters G. D. SEARLE & CO. (US) 1977-11-29 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 (1 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 TSHR 3712/4885ALDH1A1 1235/4885TET2 4226/4885

“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.