SCHEMBL456262

SCHEMBL456262

CCC(Cl)C(=O)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.35
SOAT1 P35610 1/20 0.33
CYP2C9 P11712 1/20 0.32

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
SCHEMBL3899833 0.87 SOAT1 (0.38) ALDH1A1HSD17B10LMNATDP1SOAT1
SCHEMBL29110368 0.83 SOAT1 (0.40) ALDH1A1HSD17B10LMNATDP1SOAT1
SCHEMBL27676719 0.81 FFAR3 (0.35) ALDH1A1SOAT1CYP2C9
SCHEMBL30829428 0.80
SCHEMBL21811739 0.80 ALDH1A1 (0.33) ALDH1A1HSD17B10LMNASOAT1CYP2C9
SCHEMBL30590452 0.80 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10LMNASOAT1
SCHEMBL10571663 0.80
SCHEMBL5613333 0.80
SCHEMBL27437384 0.79 SOAT1 (0.32) ALDH1A1LMNASOAT1CYP2C9
SCHEMBL11649825 0.79 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484613-B Pyrazolo [1,5-a ] pyrimidine compound and application thereof 江南大学 2020-07-07 CN disclosed
CN-104981470-A Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use Bayer Pharma AG 2015-10-14 CN disclosed
US-8779086-B2 Electrochromic material and a method for producing the same KURARAY CO., LTD. (JP) 2014-07-15 US disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
US-20130005941-A1 ELECTROCHROMIC MATERIAL AND A METHOD FOR PRODUCING THE SAME KURARAY CO., LTD. (JP) 2013-01-03 US disclosed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 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 (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-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE FIP1L1, UMPS, UBXN4 ALDH1A1 434/4885TSHR 3369/4885HSD17B10 3051/4885

“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.