SCHEMBL1202809

SCHEMBL1202809

CCCC(C)CC(C(=O)O)c1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PTGES O14684 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
FOLH1 Q04609 1/20 0.39
CCR5 P51681 1/20 0.38
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL3858317 0.80 RAB9A (0.50) RAB9ASMN1; SMN2ALDH1A1KEAP1NFE2L2
SCHEMBL1202726 0.79 LMNA (0.46) RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3870672 0.79 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL1201695 0.79 FOLH1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13715363 0.76 SMPD1 (0.43) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL27821070 0.75 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2ALDH1A1HPGDFOLH1
SCHEMBL1201623 0.71 APP (0.44) LMNA
SCHEMBL528926 0.70 RAB9A (0.61) RAB9ASMN1; SMN2LMNAHPGDFOLH1
SCHEMBL1539246 0.69 LMNA (0.46) RAB9ASMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL7962440 0.69 HPGD (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 RAB9A 3028/4885SMN1; SMN2 1997/4885PSEN1 3/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 RAB9A 3028/4885SMN1; SMN2 1997/4885PSEN1 3/4885

“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.