SCHEMBL1638432

SCHEMBL1638432

c1ccc(OCNOc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
HTR1B P28222 2/20 0.43
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HTR1D P28221 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
ALOX15 P16050 1/20 0.41
LTA4H P09960 2/20 0.40
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 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
SCHEMBL14995941 0.79 HTR1B (0.47) KCNA3HTR1BDRD4DRD2DRD3
SCHEMBL503153 0.77 KCNA3 (0.55) KCNA3HTR1BDRD4DRD2DRD3
SCHEMBL29195427 0.76 DRD4 (0.59) KCNA3HTR1BDRD4DRD2DRD3
SCHEMBL18517166 0.75 KCNA3 (0.52) KCNA3HTR1BDRD4DRD2DRD3
SCHEMBL25060330 0.73 TAAR1 (0.50) KCNA3HTR1BDRD4DRD2DRD3
SCHEMBL507062 0.73 CA4 (0.42) KCNA3HTR1BHTR1DLTA4HMAOA
SCHEMBL11895736 0.73 HTR1B (0.61) KCNA3HTR1BDRD4DRD2DRD3
SCHEMBL1152098 0.71 DRD4 (0.48) DRD4ALDH1A1RECQLMAOATSHR
SCHEMBL11895737 0.71 MAPT (0.48) KCNA3HTR1BDRD4DRD2DRD3
SCHEMBL8694783 0.70 ALDH1A1 (0.46) KCNA3HTR1BDRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541521-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
EP-2493933-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056424-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098427-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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 (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-20110098427-A1 Catalyst Compounds And Use Thereof THEM6, OPRM1, NOTUM KCNA3 4212/4885HTR1B 3791/4885DRD4 608/4885

“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.