SCHEMBL4738896

SCHEMBL4738896

O=C(C=CCl)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
LMNA P02545 1/20 0.58
RECQL P46063 1/20 0.58
MAPT P10636 9/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP1B1 Q16678 1/20 0.56
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
STAT1 P42224 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL9605450 1.00 RAB9A (0.58) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL8586818 0.86 RAB9A (0.67) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL8586821 0.86 RAB9A (0.67) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL18480636 0.80 MAPT (0.60) LMNAMAPTALDH1A1CYP1B1CES2
SCHEMBL28391265 0.80 RAB9A (0.60) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL4937050 0.78 ALDH1A1 (0.67) RAB9ALMNARECQLMAPTALDH1A1
SCHEMBL9798239 0.78 TNFRSF1A (0.62) RAB9ALMNAMAPTCYP1B1NPC1
SCHEMBL11877271 0.78 ALDH1A1 (0.75) RAB9ALMNAMAPTALDH1A1CYP1B1
SCHEMBL28755492 0.78 CYP1B1 (0.56) RAB9ALMNAMAPTALDH1A1CYP1B1
SCHEMBL9798236 0.78 TNFRSF1A (0.62) RAB9ALMNAMAPTCYP1B1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
WO-2008089439-A2 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-07-24 WO disclosed
EP-1765316-A2 METHODS AND COMPOSITIONS FOR MODULATING BAX-KU70-MEDIATED APOPTOSIS The President and Fellows of Harvard College (US) 2007-03-28 EP disclosed
US-20060084085-A1 Methods and compositions for modulating Bax-mediated apoptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2006-04-20 US disclosed
WO-2006007411-A2 METHODS AND COMPOSITIONS FOR MODULATING BAX-MEDIATED APOPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-01-19 WO disclosed
EP-0240320-B1 PHENYLPYRIDINE DERIVATIVES Chisso Corporation (JP) 1991-02-27 EP disclosed
US-4772416-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1988-09-20 US disclosed
EP-0240320-A2 Phenylpyridine derivatives Chisso Corporation (JP) 1987-10-07 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 (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-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 RAB9A 1630/4885LMNA 1692/4885RECQL 92/4885
US-20060084085-A1 Methods and compositions for modulating Bax-mediated apoptosis BAX, BCL2, CASP3 RAB9A 2407/4885LMNA 72/4885RECQL 1241/4885

“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.