SCHEMBL738161

SCHEMBL738161

CCCON(C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 1/20 0.50
AOC3 Q16853 1/20 0.47
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL2368553 0.87 TSHR (0.45) TSHRALDH1A1AOC3MEN1KMT2A
SCHEMBL2368925 0.85 ALDH1A1 (0.44) TSHRALDH1A1AOC3MEN1KMT2A
SCHEMBL8366080 0.85 ALDH1A1 (0.44) TSHRALDH1A1AOC3MEN1KMT2A
SCHEMBL2659567 0.83 TSHR (0.54) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL25069881 0.82 TSHR (0.46) TSHRALDH1A1AOC3CARM1PRMT6
Hydrochloric Acid SCHEMBL27321276 0.82 ALDH1A1 (0.52) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL10477328 0.79 TSHR (0.54) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL27360826 0.79 CSNK1E (0.38) TSHRALDH1A1AOC3ADRA2BADRA2C
SCHEMBL112375 0.74 TSHR (0.58) TSHRALDH1A1AOC3CARM1PRMT6
Hydrochloric Acid SCHEMBL31556140 0.72 TSHR (0.56) TSHRALDH1A1AOC3CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101045759-B Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO LTD CHANGZHOU 2011-06-01 CN claimed
CN-101045759-A Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO (CN) 2007-10-03 CN claimed
US-8138342-B2 11β-hydroxysteroid dehydrogenase type 1 active spiro compounds High Point Pharmacueticals, LLC (US) 2012-03-20 US disclosed
CN-101045759-B Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO LTD CHANGZHOU 2011-06-01 CN disclosed
US-20090105289-A1 11beta-hydroxysteroid dehydrogenase type 1 active spiro compounds NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
CN-101045759-A Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO (CN) 2007-10-03 CN 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-20090105289-A1 11beta-hydroxysteroid dehydrogenase type 1 active spiro compounds HSD11B1, HSD3B1, HSD17B1 TSHR 3273/4885ALDH1A1 53/4885AOC3 3397/4885

“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.