SCHEMBL3188147

SCHEMBL3188147

CC(C)(C)CC(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
SCHEMBL18538667 1.00 SLC22A6 (0.57) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL607504 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1469816-A2 REDUCTION OF HAIR GROWTH THE GILLETTE COMPANY (US) 2004-10-27 EP claimed
US-20040198821-A1 Reduction of hair growth GILLETTE COMPANY, THE 2004-10-07 US claimed
US-20040131568-A1 Topical applying a fatty acid metabolism inhibitor; adriamycin, mercaptopropionic acid GILLETTE COMPANY, THE 2004-07-08 US claimed
US-20030202950-A1 Reduction of hair growth THE GILLETTE COMPANY 2003-10-30 US claimed
US-20030153619-A1 Applying on the skin, inhibiting fatty acid metabolism, using adriamycin, or enzyme inhibitors, dermatology GILLETTE COMPANY, THE 2003-08-14 US claimed
WO-2003063810-A2 REDUCTION OF HAIR GROWTH THE GILLETTE COMPANY (US) 2003-08-07 WO claimed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
CN-110724055-B Preparation method of n-butyl 2,2, 4-trimethyl-3-hydroxypentanoate, latex paint and preparation method thereof 润泰化学(泰兴)有限公司 2022-05-03 CN disclosed
US-20180216113-A1 METHODS FOR REDUCING PROTEOTOXICITY UNIV CALIFORNIA (US) 2018-08-02 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2018-06-14 US disclosed
WO-2017031330-A1 METHODS FOR REDUCING PROTEOTOXICITY THE REGENTS OF THE UNIVERSITY OF CALIFORNA (US) 2017-02-23 WO disclosed
WO-2004005557-A1 METAL COMPOUND REMOVAL ENGELHARD CORPORATION (US) 2004-01-15 WO disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
US-20030202950-A1 Reduction of hair growth THE GILLETTE COMPANY 2003-10-30 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 EP disclosed
US-20030153619-A1 Applying on the skin, inhibiting fatty acid metabolism, using adriamycin, or enzyme inhibitors, dermatology GILLETTE COMPANY, THE 2003-08-14 US disclosed
WO-2003063810-A2 REDUCTION OF HAIR GROWTH THE GILLETTE COMPANY (US) 2003-08-07 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 (4 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 SLC22A6 1264/4885MAPT 4347/4885GABRR1 3460/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SLC22A6 84/4885MAPT 4484/4885GABRR1 1022/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SLC22A6 84/4885MAPT 4484/4885GABRR1 1022/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SLC22A6 84/4885MAPT 4484/4885GABRR1 1022/4885

“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.