SCHEMBL3191128

SCHEMBL3191128

OCCCCN1CCCCC1.OCCCN1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.67
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 3/20 0.46
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL9078 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL4504898 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL1403869 0.95 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL9158672 0.95 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL7374716 0.95 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL11859421 0.95 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL1404107 0.95 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL1404029 0.95 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL1404023 0.95 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL28153477 0.95 HRH3 (0.67) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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 1726/4885CYP1A2 635/4885MAPK1 2722/4885

“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.