SCHEMBL6684572

SCHEMBL6684572

CCCC(O)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.38
AOC3 Q16853 2/20 0.37
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
PPARG P37231 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 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
SCHEMBL6741649 1.00 HTT (0.40) HTTSLC18A3SIGMAR1LMNAAOC3
SCHEMBL15094197 0.90 ALDH1A1 (0.41) HTTSLC18A3SIGMAR1LMNACYP2C19
SCHEMBL10060891 0.89 PPARG (0.45) HTTSLC18A3SIGMAR1ALDH1A1MEN1
SCHEMBL6152931 0.87 PPARG (0.47) SLC18A3SIGMAR1MEN1KMT2APPARG
SCHEMBL9646398 0.87 PPARG (0.47) SLC18A3SIGMAR1MEN1KMT2APPARG
SCHEMBL8499483 0.87 PPARG (0.47) SLC18A3SIGMAR1MEN1KMT2APPARG
SCHEMBL31091915 0.83 LMNA (0.50) HTTSLC18A3SIGMAR1LMNAAOC3
SCHEMBL6741686 0.83 LMNA (0.50) HTTSLC18A3SIGMAR1LMNAAOC3
SCHEMBL6625584 0.83 LMNA (0.50) HTTSLC18A3SIGMAR1LMNAAOC3
SCHEMBL30735341 0.83 CYP11B1 (0.34) HTTLMNAAOC3ALDH1A1MEN1

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
US-20150045564-A1 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-12 US claimed
US-20150045564-A1 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-12 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
CN-1040321-C Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating HIV and other retroviruses UPJOHN CO (US) 1998-10-21 CN 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-20150045564-A1 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES SOD1, AOC2, SOD3 HTT 669/4885SLC18A3 4186/4885SIGMAR1 4719/4885

“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.