SCHEMBL186764

SCHEMBL186764

CC(C)(C=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNN4 O15554 3/20 0.41
HSD11B1 P28845 2/20 0.40
ACHE P22303 1/20 0.38
USP2 O75604 1/20 0.35
NFE2L2 Q16236 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP17A1 P05093 1/20 0.34

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
SCHEMBL20876292 0.80 RAB9A (0.38) RAB9AMEN1NPC1MAPTXBP1
SCHEMBL3160077 0.80 CES2 (0.44) ALDH1A1CES2CES1
SCHEMBL4926591 0.79 TSHR (0.50) RAB9AMEN1NPC1MAPTMAPK1
SCHEMBL9454477 0.78 RAB9A (0.37) RAB9AMEN1NPC1MAPTXBP1
SCHEMBL27630112 0.78 HSD11B1 (0.43) RAB9AMEN1NPC1MAPTXBP1
SCHEMBL24278474 0.78 RAB9A (0.37) RAB9AMEN1NPC1MAPTXBP1
SCHEMBL16877052 0.78 RAB9A (0.41) RAB9AMEN1NPC1MAPTXBP1
SCHEMBL28277047 0.78 RAB9A (0.41) RAB9AMEN1NPC1MAPTXBP1
SCHEMBL4969374 0.77 TSHR (0.55) RAB9AMEN1NPC1MAPTMAPK1
SCHEMBL43182 0.77 ALDH1A1 (0.44) RAB9AMEN1NPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
US-11667606-B2 Thyromimetics AUTOBAHN THERAPEUTICS, INC. (US) 2023-06-06 US disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
EP-3931180-A1 NOVEL THYROMIMETICS Autobahn Therapeutics, Inc. (US) 2022-01-05 EP disclosed
CN-113784950-A Novel thyromimetic agents 速通医疗公司 2021-12-10 CN disclosed
US-20210053917-A1 NOVEL THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. 2021-02-25 US disclosed
CN-102333771-A Indole derivatives as crth2 receptor antagonists MERCK SHARP & DOHME 2012-01-25 CN disclosed
EP-2401269-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
CN-102083805-A 4, 5-dihydro-oxazol-2-yl derivs HOFFMANN LA ROCHE 2011-06-01 CN disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 US disclosed
WO-2010099039-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 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 (7 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R RAB9A 1474/4885MEN1 2318/4885NPC1 601/4885
US-11667606-B2 Thyromimetics TPO, TSHR, TTR RAB9A 1718/4885MEN1 183/4885NPC1 2036/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R RAB9A 1474/4885MEN1 2318/4885NPC1 601/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R RAB9A 1474/4885MEN1 2318/4885NPC1 601/4885
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR RAB9A 3377/4885MEN1 4370/4885NPC1 3382/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA RAB9A 1942/4885MEN1 2412/4885NPC1 944/4885
US-20210053917-A1 NOVEL THYROMIMETICS TPO, TSHR, CHRM1 RAB9A 1407/4885MEN1 254/4885NPC1 2156/4885

“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.