SCHEMBL4258148

SCHEMBL4258148

CC=CC(CC)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL4258145 1.00 TSHR (0.37) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL31534046 1.00 TSHR (0.37) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL10948262 0.85 TDP1 (0.47) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL10948272 0.85 TDP1 (0.47) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL7006751 0.83 TSHR (0.34) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL7006753 0.83 TSHR (0.34) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL26982386 0.83 LMNA (0.36) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL28017206 0.83 ALDH1A1 (0.37) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL7667124 0.81 TSHR (0.36) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL2458140 0.81 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020079011-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-04-23 WO disclosed
WO-2020079007-A1 ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-04-23 WO 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
EP-1992612-A1 1-FLUORO-1,1-BIS(PHENYLSULFONYL)METHANE AND METHOD FOR PRODUCING SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2008-11-19 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 (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 TSHR 3391/4885ALDH1A1 1014/4885LMNA 3586/4885

“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.