SCHEMBL1450868

SCHEMBL1450868

OCC1COc2cc[c]cc2O1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
MTNR1A P48039 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL2879942 0.93 ADRA2A (0.39) HTTHTR1AADRA2ADRD1TBXA2R
SCHEMBL1874665 0.81 POLB (0.52) HTR1AADRA2AADRA1ADRD3ALDH1A1
SCHEMBL1876029 0.80 CA2 (0.45) ADRA1AALDH1A1HPGDPOLBESR2
SCHEMBL1078455 0.80 HTR6 (0.48) ADRA1ADRD3ALDH1A1HPGDPOLB
SCHEMBL1044197 0.77 POLB (0.55) ADRA1AALDH1A1HPGDPOLBESR2
SCHEMBL1879351 0.77 ADRA2A (0.61) HTR1AADRA2AADRA1ADRD2
SCHEMBL1044563 0.77 LMNA (0.40) HTTADRA1AALDH1A1HPGDPOLB
SCHEMBL1043927 0.77 ADRA2A (0.65) HTR1AADRA2AADRA1AALDH1A1DRD2
SCHEMBL407539 0.77 ADRA2A (0.60) HTTHTR1AADRA2ADRD1TBXA2R
SCHEMBL3266284 0.77 ADRA2A (0.60) HTTHTR1AADRA2ADRD1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN 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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 HTT 3658/4885HTR1A 518/4885ADRA2A 151/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 HTT 3658/4885HTR1A 518/4885ADRA2A 151/4885

“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.