SCHEMBL13595997

SCHEMBL13595997

CC(=O)OC(/C=C/c1ccc(CC(C)C)cc1)c1ccc(CC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRM1 P11229 1/20 0.46
PDE4A P27815 1/20 0.46
PTGS1 P23219 4/20 0.45
PTGS2 P35354 4/20 0.45
CXCR1 P25024 3/20 0.45
CXCR2 P25025 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
ALOX5 P09917 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL14038214 0.92 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL27100252 0.81 CYP3A4 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL21701157 0.80 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1PTGS2
SCHEMBL21701145 0.78 CYP3A4 (0.51) ALDH1A1LMNACYP2C9NFKB1TSHR
SCHEMBL1941433 0.76 CYP1A2 (0.53) SMN1; SMN2ALDH1A1KMT2ALMNACYP2C9
SCHEMBL1941434 0.76 CYP1A2 (0.53) SMN1; SMN2ALDH1A1KMT2ALMNACYP2C9
SCHEMBL3856527 0.76 CYP1A2 (0.53) SMN1; SMN2ALDH1A1KMT2ALMNACYP2C9
SCHEMBL9372718 0.76 PTGS1 (0.56) CHRM1PDE4APTGS1PTGS2CXCR1
SCHEMBL23873712 0.75 MAOA (0.48) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL27439818 0.75 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1

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-7638654-B2 1-fluoro-1, 1-bis-(phenylsulfonyl)methane and production method thereof NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-12-29 US disclosed
US-7638654-B2 1-fluoro-1, 1-bis-(phenylsulfonyl)methane and production method thereof NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-12-29 US disclosed
US-20090131723-A1 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof TOSOH F-TECH, INC. (JP) 2009-05-21 US disclosed
US-20090131723-A1 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof TOSOH F-TECH, INC. (JP) 2009-05-21 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-20090131723-A1 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof CYP2S1, ARSA, MSMO1 NPC1 1423/4885RAB9A 1401/4885SMN1; SMN2 3149/4885

“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.