SCHEMBL607504

SCHEMBL607504

CC(C)(C)C[C@H](O)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.57
MAPT P10636 1/20 0.48
GABRR1 P24046 2/20 0.48
LMNA P02545 1/20 0.48
GPR84 Q9NQS5 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
PGD P52209 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL3188147 1.00 SLC22A6 (0.57) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL18538667 1.00 SLC22A6 (0.57) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL3409902 0.89 SLC22A6 (0.50) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL6556987 0.83 SLC22A6 (0.55) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL12348844 0.80 ALDH1A1 (0.42) SLC22A6PGDTDP1
SCHEMBL20621110 0.80 FOLH1 (0.50) SLC22A6MAPTGABRR1LMNASMN1; SMN2
SCHEMBL17206402 0.80 ALDH1A1 (0.42) SLC22A6PGDTDP1
SCHEMBL6465879 0.76 SLC22A6 (0.52) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL10034514 0.76
SCHEMBL26138089 0.75 SLC22A6 (0.75) SLC22A6MAPTGABRR1LMNAGPR84

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 8 patents. 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
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
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-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US disclosed
US-6384228-B2 EPIBATIDINE; ANALGESICS; ANIMAL EXTRACTS NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-05-07 US disclosed
US-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-01-24 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 (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-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF DHPS, ALAD, HAAO SLC22A6 3847/4885MAPT 4658/4885GABRR1 2637/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 SLC22A6 4491/4885MAPT 4550/4885GABRR1 2815/4885

“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.