SCHEMBL3207354

SCHEMBL3207354

OCCCCCCCCCCN1CCCC1.OCCCCCCCCN1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.70
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
CXCR4 P61073 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 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
SCHEMBL1619191 1.00 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1403984 1.00 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1403845 1.00 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1404048 1.00 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL30980916 1.00 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1404082 1.00 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1404107 0.97 HRH3 (0.75) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL11859421 0.97 HRH3 (0.75) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1404023 0.97 HRH3 (0.75) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL9158672 0.97 HRH3 (0.75) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029979-A1 PROCESS FOR PREPARING (METH)ACRYLIC ACID EVONIK ROEHM GMBH (DE) 2010-02-04 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-20100029979-A1 PROCESS FOR PREPARING (METH)ACRYLIC ACID MMAB, ASS1, PAM HRH3 1726/4885MAPT 3662/4885CYP1A2 635/4885

“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.