SCHEMBL2497844

SCHEMBL2497844

CC(C)(CBr)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.61
ESR1 P03372 15/20 0.59
ESR2 Q92731 13/20 0.59
CYP3A4 P08684 3/20 0.54
LMNA P02545 1/20 0.54
TYR P14679 1/20 0.54
AR P10275 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR6 P50406 1/20 0.54
ESRRG P62508 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL7178856 0.87 SHBG (0.42) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL9263660 0.81 ESR1 (0.54) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL11503011 0.80 TSHR (0.48) SHBGLMNATYRHPGDTSHR
SCHEMBL10476838 0.78 SHBG (0.64) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL17961713 0.78 TSHR (0.52) SHBGESR1ESR2LMNATSHR
SCHEMBL49704 0.78 SHBG (0.64) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL677795 0.76 ESR1 (0.68) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL2811934 0.76 SHBG (0.61) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL18622729 0.76 SHBG (0.75) SHBGESR1ESR2CYP3A4LMNA
Hydrogen Sulfide SCHEMBL11598921 0.76 SHBG (0.61) SHBGESR1ESR2CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030516-B2 Methods for producing perfluoroalkanedi(sulfonyl chloride) UBE INDUSTRIES, LTD. (JP) 2011-10-04 US disclosed
US-20090105502-A1 METHODS FOR PRODUCING PERFLUOROALKANEDI(SULFONYL CHLORIDE) IM&T RESEARCH, INC. (US) 2009-04-23 US disclosed
US-4898993-A Process for preparing 2-tert-butyl-4-methoxyphenol BROMINE COMPOUNDS LIMITED (IL) 1990-02-06 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-20090105502-A1 METHODS FOR PRODUCING PERFLUOROALKANEDI(SULFONYL CHLORIDE) PFAS, PFKFB1, PFKFB2 SHBG 1350/4885ESR1 1942/4885ESR2 2058/4885

“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.