SCHEMBL17866229

SCHEMBL17866229

Cc1cc2c(s1)CCC(Br)C2=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.39
ADRA1A P35348 5/20 0.39
ADRA1B P35368 5/20 0.39
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PNMT P11086 1/20 0.32

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
SCHEMBL10447550 0.76 ADRA1D (0.47) ADRA1DADRA1AADRA1BMEN1TSHR
SCHEMBL10426987 0.73 ADRA1D (0.45) ADRA1DADRA1AADRA1BTHRB
SCHEMBL9382556 0.72 ADRA1D (0.49) ADRA1DADRA1AADRA1B
SCHEMBL13104453 0.70 TSHR (0.42) ADRA1DADRA1AADRA1BMEN1TSHR
SCHEMBL817816 0.69 ACHE (0.44) ADRA1DADRA1AADRA1BMEN1TSHR
SCHEMBL914478 0.69 NOS2 (0.43) ELANEALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL15096854 0.68 ELANE (0.36) ELANEALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL9737986 0.67 ADRA1D (0.43) ADRA1DADRA1AADRA1BMEN1TSHR
SCHEMBL2776823 0.67 TSHR (0.47) MEN1TSHRCYP2C19RAB9AKMT2A
SCHEMBL9176753 0.66 UGT2B17 (0.38) MEN1KMT2AELANEALDH1A1MAPT

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
EP-3237547-B1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2019-03-20 EP disclosed
US-10196520-B2 Direct dyes and composition comprising the dyes KAO GERMANY GMBH (DE) 2019-02-05 US disclosed
US-20170362436-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2017-12-21 US disclosed
EP-3237547-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES Kao Germany GmbH (DE) 2017-11-01 EP disclosed
WO-2016102207-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2016-06-30 WO disclosed
EP-3037485-A1 Direct dyes and composition comprising the dyes Kao Germany GmbH (DE) 2016-06-29 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-10196520-B2 Direct dyes and composition comprising the dyes KRT18, TUBB4A, BRDT ADRA1D 4547/4885ADRA1A 4550/4885ADRA1B 4588/4885

“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.