SCHEMBL4569609

SCHEMBL4569609

CC(C)c1ccc([S+]2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
TYR P14679 1/20 0.33
TSHR P16473 1/20 0.33
KCNH2 Q12809 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
SCHEMBL12257147 0.81 HPGD (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4569612 0.77 CYP1A2 (0.37) FKBP1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12907381 0.72 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1696855 0.72 RAB9A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4569611 0.72 LMNA (0.38) NPC1RAB9ASMN1; SMN2KDM4EKMT2A
Hydrochloric Acid SCHEMBL31108772 0.71 RAB9A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
P-Cymene SCHEMBL28304008 0.67 FKBP1A (0.41) FKBP1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL104124 0.66 TYR (0.58) NPC1RAB9AALDH1A1KDM4EGAA
Oxirane SCHEMBL27720207 0.66 ESR1 (0.54) FKBP1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2627852 0.65 ALDH1A1 (0.67) FKBP1ANPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160377980-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-29 US disclosed
US-20160377978-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-29 US disclosed
US-9260407-B2 Salt and photoresist composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-16 US disclosed
US-20120122032-A1 SALT AND PHOTORESIST COMPOSITION COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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 (1 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-20120122032-A1 SALT AND PHOTORESIST COMPOSITION COMPRISING THE SAME RER1, RCOR1, PNISR FKBP1A 1422/4885NPC1 2435/4885RAB9A 604/4885

“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.