SCHEMBL186301

SCHEMBL186301

C#CC(C)(C)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.36
KCNN4 O15554 4/20 0.35
HSD11B1 P28845 1/20 0.35
USP2 O75604 1/20 0.34
PYCR1 P32322 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP17A1 P05093 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP19A1 P11511 2/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL8585838 0.81 PYCR1 (0.43) PYCR1ALDH1A1
SCHEMBL186944 0.77 RAB9A (0.41) RAB9ASMN1; SMN2MEN1NPC1MAPT
SCHEMBL26394736 0.76 SLC6A3 (0.32)
SCHEMBL8585783 0.76 MEN1 (0.50) RAB9ASMN1; SMN2MEN1NPC1MAPK1
SCHEMBL18396557 0.76 RAB9A (0.41) RAB9ASMN1; SMN2MEN1NPC1MAPT
SCHEMBL2534039 0.76 RAB9A (0.37) RAB9ASMN1; SMN2MEN1NPC1MAPT
SCHEMBL9454463 0.76 RAB9A (0.37) RAB9ASMN1; SMN2MEN1NPC1MAPT
SCHEMBL131037 0.75 MAPK1 (0.44) MAPTMAPK1KMT2AKCNN4ALDH1A1
SCHEMBL24278471 0.74 RAB9A (0.36) RAB9ASMN1; SMN2MEN1NPC1MAPT
SCHEMBL26394766 0.74 KCNN4 (0.43) RAB9ANPC1KMT2AACHEKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230314944-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-05 US disclosed
US-20230314944-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-05 US disclosed
US-9023864-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
EP-2492267-B1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
EP-2401269-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-04 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-5030625-A Applying to phytopathogen SANDOZ LTD. (CH) 1991-07-09 US disclosed
EP-0191269-B1 NOVEL HOMOPROPARGYLAMINES SANDOZ AG (CH) 1991-03-06 EP disclosed
US-4684661-A Anti-fungal homopropargylamines, compositions, and method of use therefor SANDOZ LTD. (CH) 1987-08-04 US disclosed
EP-0191269-A2 Novel homopropargylamines SANDOZ AG (CH) 1986-08-20 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 (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-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists PTGER2, PTGDR2, PTGDR RAB9A 3377/4885SMN1; SMN2 4820/4885MEN1 4370/4885
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR RAB9A 3377/4885SMN1; SMN2 4820/4885MEN1 4370/4885

“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.