SCHEMBL5255128

SCHEMBL5255128

O=CCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.56
HDAC2 Q92769 10/20 0.56
LSS P48449 1/20 0.54
HDAC3 O15379 8/20 0.53
HDAC4 P56524 8/20 0.53
HDAC7 Q8WUI4 8/20 0.53
HDAC10 Q969S8 8/20 0.53
HDAC11 Q96DB2 8/20 0.53
HDAC8 Q9BY41 8/20 0.53
HDAC6 Q9UBN7 8/20 0.53
HDAC9 Q9UKV0 8/20 0.53
HDAC5 Q9UQL6 8/20 0.53
HRH3 Q9Y5N1 4/20 0.50
MMP3 P08254 1/20 0.50
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
KCNA3 P22001 1/20 0.48
LTA4H P09960 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
SCHEMBL7371053 0.93 HDAC1 (0.58) HDAC1HDAC2LSSHDAC3HDAC4
SCHEMBL7373189 0.93 HDAC1 (0.58) HDAC1HDAC2LSSHDAC3HDAC4
SCHEMBL96854 0.88 KCNA3 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL96602 0.82 KCNA3 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13420978 0.81 ALDH1A1 (0.60) HDAC1HDAC2LSSHDAC3HDAC4
SCHEMBL7500091 0.81 KCNA3 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5593684 0.81 KCNA3 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9683773 0.81 KCNA3 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2786288 0.81 KCNA3 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1172269 0.81 KCNA3 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7

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 HDAC1 545/4885HDAC2 803/4885LSS 1788/4885

“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.