SCHEMBL2398249

SCHEMBL2398249

O=C(Cl)Oc1cccc2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.50
RXRB P28702 9/20 0.50
RXRG P48443 6/20 0.50
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL17596594 0.83 RXRA (0.50) RXRARXRBRXRGBCL2L1BAD
SCHEMBL5833456 0.81 RXRA (0.49) RXRARXRBRXRGBCL2L1BAD
SCHEMBL29062395 0.80 RXRA (0.48) RXRARXRBRXRGBCL2L1BAD
SCHEMBL11221730 0.79 RXRB (0.50) RXRARXRBRXRGBCL2L1BAD
SCHEMBL7206062 0.79 RXRA (0.50) RXRARXRBRXRGBCL2L1BAD
SCHEMBL1872704 0.79 LMNA (0.51) RXRARXRBRXRGBCL2L1BAD
SCHEMBL9791358 0.76 RXRA (0.45) RXRARXRBRXRGBCL2L1BAD
SCHEMBL27705529 0.76 RXRA (0.47) RXRARXRBRXRGBCL2L1BAD
SCHEMBL6630115 0.75 GAA (0.49) RXRARXRBRXRGLMNASMN1; SMN2
SCHEMBL31312989 0.75 BCL2L1 (0.54) RXRARXRBRXRGBCL2L1BAD

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
EP-2364312-A2 PREPARATION OF CRYSTALLINE PALONOSETRON HYDROCHLORIDE Dr. Reddy's Laboratories, Ltd. (IN) 2011-09-14 EP disclosed
US-20110213150-A1 PREPARATION OF CRYSTALLINE PALONOSETRON HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2011-09-01 US disclosed
WO-2010056656-A2 PREPARATION OF CRYSTALLINE PALONOSETRON HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2010-05-20 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-20110213150-A1 PREPARATION OF CRYSTALLINE PALONOSETRON HYDROCHLORIDE HTR3A, HTR5A, HTR3C RXRA 3729/4885RXRB 3683/4885RXRG 3414/4885

“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.