SCHEMBL2844071

SCHEMBL2844071

CCC(C)(Cl)c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ACHE P22303 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CASR P41180 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
CHRM3 P20309 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL31208447 1.00 TSHR (0.38) TSHRACHEGABRA1GABRB2CASR
SCHEMBL6683931 0.78 KCNN4 (0.41) TSHRCHRM3TAAR1
SCHEMBL27994602 0.78 TAAR1 (0.39) TSHRACHEGABRA1GABRB2CASR
SCHEMBL4352221 0.77 TSHR (0.41) TSHRACHEGABRA1GABRB2CASR
SCHEMBL6684003 0.77 RIPK1 (0.37) TSHRALDH1A1TDP1L3MBTL1CA1
SCHEMBL4237173 0.77 TSHR (0.45) TSHRACHEGABRA1GABRB2CASR
SCHEMBL2495517 0.77 TSHR (0.45) TSHRACHEGABRA1GABRB2CASR
SCHEMBL10627850 0.76 MEN1 (0.37) TSHRACHEGABRA1GABRB2CASR
Ammonia Solution, Strong SCHEMBL9687521 0.75 MEN1 (0.36) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL9477337 0.75 ACHE (0.43) TSHRACHEGABRA1GABRB2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252154-B1 METHOD FOR MINIMIZING THE CYTOTOXICITY OF THE EFFECTIVE AGENT IN A COMPOSITION THAT IS ADMINISTERED TO A MAMMAL OR GETS INTO CONTACT WITH A MAMMAL OY GRANULA AB LTD (FI) 2016-01-27 EP disclosed
US-8496974-B2 Method for preparing a composition comprising a compound mixture and a carrier agent OY GRANULA AB LTD (FI) 2013-07-30 US disclosed
US-8431170-B2 Antimicrobial composition with low cytotoxicity OY GRANULA AB LTD. (FI) 2013-04-30 US disclosed
US-20100129304-A1 METHOD FOR PREPARING A COMPOSITION COMPRISING A COMPOUND MIXTURE AND A CARRIER AGENT OY GRANULA AB LTD (FI) 2010-05-27 US disclosed
US-20100129302-A1 ANTIMICROBIAL COMPOSITION WITH LOW CYTOTOXICITY OY GRANULA AB LTD (FI) 2010-05-27 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
EP-1714663-A1 Disinfecting and sanitizing article for hands and skin and hard surfaces Illinois Tool Works, Inc. (US) 2006-10-25 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 WO 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 (2 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-20100129302-A1 ANTIMICROBIAL COMPOSITION WITH LOW CYTOTOXICITY CUTA, LCT, PYCARD TSHR 4803/4885ACHE 2198/4885GABRA1 4545/4885
US-20100129304-A1 METHOD FOR PREPARING A COMPOSITION COMPRISING A COMPOUND MIXTURE AND A CARRIER AGENT H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, BAK1, PMAIP1 TSHR 4698/4885ACHE 3647/4885GABRA1 3745/4885

“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.