SCHEMBL17534839

SCHEMBL17534839

CCCC[C@H]([O])c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CNR2 P34972 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
NAAA Q02083 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
MME P08473 1/20 0.40
HTR2A P28223 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
MAPT P10636 1/20 0.40
HRH1 P35367 2/20 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
SCHEMBL921888 1.00 POLB (0.49) POLBALDH1A1KDM4ECNR2SIGMAR1
SCHEMBL997492 0.94 SIGMAR1 (0.44) POLBALDH1A1CNR2SIGMAR1NAAA
SCHEMBL999364 0.92 NAAA (0.46) POLBALDH1A1CNR2SIGMAR1NAAA
SCHEMBL1020302 0.92 NAAA (0.46) POLBALDH1A1CNR2SIGMAR1NAAA
SCHEMBL1661440 0.92 NAAA (0.46) POLBALDH1A1CNR2SIGMAR1NAAA
SCHEMBL11372249 0.92 NAAA (0.46) POLBALDH1A1CNR2SIGMAR1NAAA
SCHEMBL999809 0.92 NAAA (0.46) POLBALDH1A1CNR2SIGMAR1NAAA
SCHEMBL1660346 0.92 NAAA (0.46) POLBALDH1A1CNR2SIGMAR1NAAA
SCHEMBL6716460 0.92 NAAA (0.46) POLBALDH1A1CNR2SIGMAR1NAAA
SCHEMBL6957724 0.92 NAAA (0.46) POLBALDH1A1CNR2SIGMAR1NAAA

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
US-10064879-B2 Method for treating depression and/or depression status with substituted quinoxaline compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-04 US disclosed
US-20170224713-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-10 US disclosed
US-20160058757-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMA CO LTD (JP) 2016-03-03 US 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 (3 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-20170224713-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 POLB 4240/4885ALDH1A1 2931/4885KDM4E 3870/4885
US-20160058757-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 POLB 4176/4885ALDH1A1 2854/4885KDM4E 4062/4885
US-10064879-B2 Method for treating depression and/or depression status with substituted quinoxaline compounds KYNU, CRH, CHRM1 POLB 2605/4885ALDH1A1 1905/4885KDM4E 1088/4885

“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.