SCHEMBL9117622

SCHEMBL9117622

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CACNA2D1 P54289 2/20 0.39
ADRA1A P35348 2/20 0.39
CACNB3 P54284 1/20 0.39
CACNA1C Q13936 1/20 0.39
PGR P06401 1/20 0.39
HTR2B P41595 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
PGD P52209 1/20 0.38
MAPT P10636 1/20 0.37
GABRR1 P24046 2/20 0.36

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
SCHEMBL6356991 0.81 CACNA2D1 (0.36) SLC22A6TDP1CACNA2D1ADRA1ACACNB3
SCHEMBL7920450 0.79 ADRA1A (0.34) SLC22A6TDP1CACNA2D1ADRA1ACACNB3
SCHEMBL7927449 0.79 ADRA1A (0.34) SLC22A6TDP1CACNA2D1ADRA1ACACNB3
SCHEMBL15905917 0.77 ALDH1A1 (0.48) TDP1
SCHEMBL28551189 0.77 SLC22A6 (0.43) SLC22A6TDP1CACNA2D1ADRA1ACACNB3
SCHEMBL23913764 0.74 SLC22A6 (0.41) SLC22A6TDP1CACNA2D1ADRA1ACACNB3
SCHEMBL6805671 0.74 PGD (0.50) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL20711453 0.74 SLC22A6 (0.41) SLC22A6TDP1CACNA2D1ADRA1ACACNB3
SCHEMBL667280 0.74 PGD (0.50) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL10034531 0.74 ECE1 (0.35) TDP1TSHRCYP2C19LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9610263-B2 Method of modulating membrane potential of a cell VERSITECH LIMITED (CN) 2017-04-04 US disclosed
US-8633160-B2 Small molecule inhibitors of PDZ interactions NONO INC. (CA) 2014-01-21 US disclosed
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell THE CHINESE UNIVERSITY OF HONG KONG (CN) 2009-06-25 US disclosed
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell THE CHINESE UNIVERSITY OF HONG KONG (CN) 2009-06-25 US disclosed
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions ARBOR VITA CORPORATION (US) 2009-03-05 US disclosed
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions NONO INC. (CA) 2008-09-18 US disclosed
US-5434276-A Process for making N-acyl taurides FINETEX, INC. (US) 1995-07-18 US disclosed
WO-1995018095-A1 PROCESS FOR MAKING N-ACYL TAURIDES FINETEX, INC. (US) 1995-07-06 WO disclosed
US-4352759-A CRYSTALLIZATION IN ALCOHOL, AMIDATION CHASE MANHATTAN BANK, THE NATIONAL ASSOCIATION 1982-10-05 US disclosed
US-4233229-A REACTING ACID CHLORIDE, TAURINE SALT, ALKALI METAL HYDROXIDE; PRECIPITATING ALKALI METAL CHLORIDE GAF CORPORATION (US) 1980-11-11 US disclosed
EP-0002675-A1 Preparation of salt-free N-acyl taurines GAF CORPORATION (US) 1979-07-11 EP 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-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD SLC22A6 4468/4885TDP1 2770/4885CACNA2D1 2970/4885
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD SLC22A6 4468/4885TDP1 2770/4885CACNA2D1 2970/4885
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell VDAC1, ATP2A3, ATP2A2 SLC22A6 1030/4885TDP1 3920/4885CACNA2D1 222/4885

“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.