SCHEMBL4011580

SCHEMBL4011580

CCC(F)(Br)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KCNN4 O15554 4/20 0.43
KIF11 P52732 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
PTPN1 P18031 1/20 0.38
MAPK1 P28482 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
TP53 P04637 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL13440 0.77 TSHR (0.50) TSHRALDH1A1KCNN4KIF11TAAR1
SCHEMBL28758503 0.77 TSHR (0.57) TSHRALDH1A1KCNN4KIF11TAAR1
Trifluoromethylbenzene SCHEMBL27901681 0.76 ALDH1A1 (0.64) TSHRALDH1A1KCNN4KIF11TAAR1
SCHEMBL16566613 0.76 ALDH1A1 (0.44) TSHRALDH1A1KCNN4KIF11
Trifluoromethylbenzene SCHEMBL18787459 0.76 TSHR (0.82) TSHRALDH1A1KCNN4KIF11PTPN1
SCHEMBL5740730 0.76 TAAR1 (0.50) TSHRALDH1A1KCNN4KIF11TAAR1
SCHEMBL17885859 0.75 ALDH1A1 (0.48) TSHRALDH1A1KCNN4KIF11TAAR1
Trifluoromethylbenzene SCHEMBL3392949 0.75 TSHR (0.70) TSHRALDH1A1KCNN4KIF11TAAR1
SCHEMBL3627861 0.75 ALDH1A1 (0.48) TSHRALDH1A1KCNN4KIF11TAAR1
Trifluoromethylbenzene SCHEMBL14891620 0.75 ALDH1A1 (0.70) TSHRALDH1A1KCNN4KIF11PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742931-B1 DIBENZOFURAN, DIBENZOTHIOPHENE AND FLUORENE DERIVATIVES AS COMPONENTS OF LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2014-04-23 EP disclosed
US-7514127-B2 Dibenzofuran derivatives, dibenzothiophene derivatives and fluorene derivatives MERCK PATENT GMBH (DE) 2009-04-07 US disclosed
US-20070219380-A1 Dibenzofuran Derivatives, Dibenzothiophene Derivatives and Fluorene Derivatives MERCK PATENT GMBH (DE) 2007-09-20 US disclosed
EP-1742931-A1 DIBENZOFURAN DERIVATIVES, DIBENZOTHIOPHENE DERIVATIVES, AND FLUORENE DERIVATIVES MERCK PATENT GmbH (DE) 2007-01-17 EP disclosed
WO-2005105772-A1 DIBENZOFURAN DERIVATIVES, DIBENZOTHIOPHENE DERIVATIVES, AND FLUORENE DERIVATIVES MERCK PATENT GMBH (DE) 2005-11-10 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 (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-20070219380-A1 Dibenzofuran Derivatives, Dibenzothiophene Derivatives and Fluorene Derivatives ZYX, F3, YBX1 TSHR 1688/4885ALDH1A1 680/4885KCNN4 1612/4885

“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.