SCHEMBL5199607

SCHEMBL5199607

CCC(O)(CC)c1ccc(Br)nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
ESR1 P03372 3/20 0.32
ESR2 Q92731 1/20 0.32
PIKFYVE Q9Y2I7 2/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
FDFT1 P37268 1/20 0.31
CYP11B1 P15538 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
SCHEMBL21097974 0.90 ALDH1A1 (0.36) HRH3ESR1ESR2
SCHEMBL25100553 0.79 FDFT1 (0.36) FDFT1CYP11B1
SCHEMBL746530 0.78 TNKS (0.37) HRH3FDFT1
SCHEMBL1142223 0.75 KMT2A (0.37) FDFT1
SCHEMBL5198999 0.74 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL23956200 0.74 FDFT1 (0.33) FDFT1
SCHEMBL5950461 0.73 ESR1 (0.46) HRH3ESR1ESR2NR1H2NR1H3
SCHEMBL1141452 0.73 DGAT1 (0.32)
SCHEMBL13010773 0.73 TSHR (0.39)
SCHEMBL1056429 0.73 ALDH1A1 (0.44) HRH3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
US-7273938-B2 Preparation of novel substituted haloarene compounds PFIZER INC. (US) 2007-09-25 US disclosed
CN-1989105-A Preparation of novel substituted haloarene compounds PFIZER (US) 2007-06-27 CN disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP disclosed
EP-1771419-A1 PREPARATION OF NOVEL SUBSTITUTED HALOARENE COMPOUNDS Pfizer Products Inc. (US) 2007-04-11 EP disclosed
US-20060030714-A1 Preparation of novel substituted haloarene compounds PFIZER INC 2006-02-09 US disclosed
WO-2006011030-A1 PREPARATION OF NOVEL SUBSTITUTED HALOARENE COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-02-02 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-20060030714-A1 Preparation of novel substituted haloarene compounds HTR1A, HTR1D, HTR3D HRH3 85/4885ESR1 1493/4885ESR2 1456/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 HRH3 101/4885ESR1 2328/4885ESR2 977/4885

“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.