SCHEMBL5306203

SCHEMBL5306203

COc1cccc(OCCCC[C]=O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 4/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL2641374 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDL3MBTL1MAPK1
SCHEMBL7819615 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL902827 0.78 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5306211 0.77 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11045045 0.77 CA12 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL7908108 0.77 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11092732 0.76 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19612360 0.74 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11105088 0.74 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13617359 0.74 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B SMN1; SMN2 3612/4885ALDH1A1 3145/4885MEN1 1227/4885

“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.