SCHEMBL3233196

SCHEMBL3233196

COc1cccc(Cl)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.42
ALDH1A1 P00352 2/20 0.38
DRD2 P14416 1/20 0.37
POLB P06746 1/20 0.37
ITGA4 P13612 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGB7 P26010 1/20 0.36
BRD4 O60885 2/20 0.36
BRPF1 P55201 2/20 0.36
KCNK3 O14649 1/20 0.36
TACR1 P25103 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3240092 0.93 SLC6A9 (0.47) SLC6A9ALDH1A1DRD2POLBTACR1
SCHEMBL3241436 0.84 SLC6A9 (0.41) SLC6A9ALDH1A1ITGA4ITGB1ITGB7
SCHEMBL3244920 0.84 ALDH1A1 (0.39) SLC6A9ALDH1A1KCNK3KMT2A
SCHEMBL3240097 0.82 SLC6A9 (0.46) SLC6A9ALDH1A1
SCHEMBL8265699 0.82 KMT2A (0.35) SLC6A9ALDH1A1BRD4BRPF1KCNK3
SCHEMBL3239965 0.82 ROCK2 (0.40) SLC6A9ALDH1A1POLBBRD4BRPF1
SCHEMBL3241381 0.81 HCRTR1 (0.36) SLC6A9ALDH1A1DRD2GAAKMT2A
SCHEMBL3243834 0.81 P2RX7 (0.39) ALDH1A1KCNK3KMT2A
SCHEMBL3238566 0.79 SLC6A9 (0.40) SLC6A9ALDH1A1KCNK3GAA
SCHEMBL3232907 0.79 ALDH1A1 (0.39) SLC6A9ALDH1A1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745533-B2 Manufacture of stable low particle size organopolysiloxane emulsion WACKER CHEMIE AG (DE) 2010-06-29 US claimed
US-20070276087-A1 MANUFACTURE OF STABLE LOW PARTICLE SIZE ORGANOPOLYSILOXANE EMUSLION WACKER CHEMIE AG (DE) 2007-11-29 US claimed
EP-4149415-B1 SHAMPOO COMPOSITION COMPRISING ALKYL GLUCOSIDE PROCTER & GAMBLE (US) 2026-05-20 EP disclosed
EP-4337333-B1 SHAMPOO COMPOSITION PROCTER & GAMBLE (US) 2026-04-15 EP disclosed
EP-4149416-B1 SHAMPOO COMPOSITION COMPRISING DECYL GLUCOSIDE AND A CATIONIC GUAR PROCTER & GAMBLE (US) 2026-01-21 EP disclosed
EP-4352135-A1 EMULSION POLYMERIZED EMULSIONS FROM POLYDIMETHYL SILOXANE MIXTURE AND CONSEQUENCE OF CYCLIC GENERATION IN FINAL EMULSION Wacker Metroark Chemicals Pvt. Ltd. (IN) 2024-04-17 EP disclosed
CN-117794508-A Shampoo compositions 宝洁公司 2024-03-29 CN disclosed
EP-4337333-A1 SHAMPOO COMPOSITION The Procter & Gamble Company (US) 2024-03-20 EP disclosed
CN-117616070-A Emulsion preparation from polydimethylsiloxane mixtures by emulsion polymerization and influence on the formation of cyclics in the emulsion product 瓦克麦特罗克化学私营有限责任公司 2024-02-27 CN disclosed
US-11771635-B2 Shampoo composition THE PROCTER & GAMBLE COMPANY (US) 2023-10-03 US disclosed
US-11679073-B2 Hair compositions providing improved in-use wet feel THE PROCTER & GAMBLE COMPANY (US) 2023-06-20 US disclosed
WO-2013052771-A2 PERSONAL CARE COMPOSITIONS AND METHODS OF MAKING SAME THE PROCTER & GAMBLE COMPANY (US) 2013-04-11 WO disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745533-B2 Manufacture of stable low particle size organopolysiloxane emulsion WACKER CHEMIE AG (DE) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20070276087-A1 MANUFACTURE OF STABLE LOW PARTICLE SIZE ORGANOPOLYSILOXANE EMUSLION WACKER CHEMIE AG (DE) 2007-11-29 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 (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-11771635-B2 Shampoo composition PSAP, SGMS2, ALG1 SLC6A9 3084/4885ALDH1A1 4169/4885DRD2 1549/4885
US-11679073-B2 Hair compositions providing improved in-use wet feel POLR1C, YWHAZ, LBR SLC6A9 789/4885ALDH1A1 2801/4885DRD2 540/4885
US-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885ALDH1A1 1356/4885DRD2 278/4885

“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.