SCHEMBL2696941

SCHEMBL2696941

CCC(C)c1[c]c(Cl)ccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL184762 0.85 TSHR (0.41) TSHRHDAC4HDAC2HDAC8
SCHEMBL249427 0.79 TSHR (0.38) TSHRHDAC4HDAC2HDAC8
SCHEMBL2698492 0.79 CYP1A2 (0.31) TSHR
SCHEMBL8074869 0.78 TSHR (0.36) TSHRHDAC4HDAC2HDAC8
SCHEMBL16440057 0.76 TSHR (0.35) TSHRHDAC4HDAC2HDAC8
SCHEMBL2776672 0.76 TSHR (0.35) TSHRHDAC4HDAC2HDAC8
SCHEMBL16440037 0.76 TSHR (0.35) TSHRHDAC4HDAC2HDAC8
SCHEMBL11504243 0.73 TSHR (0.33) TSHRHDAC4HDAC2HDAC8
SCHEMBL11503835 0.73 TSHR (0.33) TSHRHDAC4HDAC2HDAC8
SCHEMBL11503678 0.73 GABRA1 (0.34) TSHRHDAC4HDAC2HDAC8

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
CN-104245665-B The manufacture method of alkylated aromatic amide derivatives 三井化学AGRO株式会社 2017-08-25 CN disclosed
US-9353046-B2 Method for producing alkylated aromatic amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2016-05-31 US disclosed
US-20150065721-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2015-03-05 US disclosed
EP-2835366-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2015-02-11 EP disclosed
EP-2632929-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2013-09-04 EP disclosed
WO-2012056419-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2012-05-03 WO disclosed
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use BASF SE (DE) 2012-05-03 US disclosed
US-4169106-A Antiarrhythmic N,N'-bis(phenylcarbamoylalkyl)amidines COOPER LABORATORIES, INC. (US) 1979-09-25 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 (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-20150065721-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE NAT1, HAX1, AOC2 TSHR 280/4885HDAC4 558/4885HDAC2 268/4885
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use CYCS, CYC1, CBR1 TSHR 2874/4885HDAC4 4014/4885HDAC2 1289/4885

“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.