SCHEMBL8095267

SCHEMBL8095267

CCCCCc1ccccc1C(=O)Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.51
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT5 Q92993 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CYSLTR2 Q9NS75 5/20 0.46

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
SCHEMBL8099855 0.98 LIPG (0.54) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL8087567 0.98 LIPG (0.54) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL8094361 0.98 LIPG (0.54) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL3174155 0.95 TSHR (0.44) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL3182491 0.87 KDR (0.44) TSHRTP53ALDH1A1LMNA
SCHEMBL617126 0.85 LIPG (0.55) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL8094586 0.85 BID (0.48) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL298005 0.84 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL5171335 0.84 FOLH1 (0.59) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL7652499 0.84 LIPG (0.58) LIPGBIDMCL1BCL2L1BAK1

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
US-9638690-B2 Compounds and compositions for use as alkylating agent sensors and methods of use thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-05-02 US disclosed
US-20160131641-A1 COMPOUNDS AND COMPOSITIONS FOR USE AS ALKYLATING AGENT SENSORS AND METHODS OF USE THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-05-12 US disclosed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 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-20160131641-A1 COMPOUNDS AND COMPOSITIONS FOR USE AS ALKYLATING AGENT SENSORS AND METHODS OF USE THEREOF MGMT, MCL1, OGG1 LIPG 3796/4885BID 101/4885MCL1 2/4885

“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.