SCHEMBL5254178

SCHEMBL5254178

O=CCCOc1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
BACE1 P56817 1/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HRH3 Q9Y5N1 5/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
SOD1 P00441 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
GGPS1 O95749 1/20 0.47
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL7366844 0.89 HDAC1 (0.57) LTA4HBACE1HDAC1HDAC2HRH3
SCHEMBL16672084 0.85 MAPK1 (0.42)
SCHEMBL43677 0.83 KCNA3 (0.58) LTA4HHDAC1HDAC2HDAC8HDAC6
SCHEMBL29565999 0.83 LTA4H (0.53) LTA4HBACE1HDAC1HDAC2HRH3
SCHEMBL9259547 0.82 PRMT6 (0.44) LTA4HHDAC1HDAC2PPARDHDAC8
SCHEMBL4320104 0.78 ALDH1A1 (0.69) LTA4HBACE1HDAC1HDAC2HRH3
SCHEMBL29565679 0.78 LTA4H (0.51) LTA4HBACE1HDAC1HDAC2HRH3
SCHEMBL19458687 0.77 HDAC1 (0.49) LTA4HBACE1HDAC1HDAC2HRH3
SCHEMBL97532 0.77 DRD2 (0.55) HRH3FFAR1PPARGPPARD
SCHEMBL19287147 0.77 MAPK1 (0.56)

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 LTA4H 1269/4885BACE1 1215/4885HDAC1 545/4885

“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.