SCHEMBL1878664

SCHEMBL1878664

[CH2]C1COc2ccc(OC)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.50
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 2/20 0.43
FFAR1 O14842 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL1874963 0.81 CA2 (0.44) MTNR1AMAPTMAPK1TDP1ALDH1A1
SCHEMBL1878665 0.81 MTNR1A (0.51) MTNR1AMAPTMAPK1TDP1CYP19A1
SCHEMBL22158332 0.78 MTNR1A (0.55) MTNR1AMAPTCYP19A1FFAR1SMN1; SMN2
SCHEMBL7435383 0.76 MTNR1A (0.56) MTNR1AMAPTTDP1FFAR1SMN1; SMN2
SCHEMBL7435365 0.76 MTNR1A (0.50) MTNR1AMAPTMAPK1TDP1CYP19A1
SCHEMBL6982719 0.76 MTNR1A (0.63) MTNR1AMAPTFFAR1ALDH1A1MEN1
SCHEMBL9208736 0.76 MTNR1A (0.60) MTNR1AMAPTFFAR1ALDH1A1MEN1
SCHEMBL7199006 0.76 MTNR1A (0.60) MTNR1AMAPTMAPK1TDP1CYP19A1
SCHEMBL1870686 0.76 MTNR1A (0.63) MTNR1AMAPTFFAR1ALDH1A1MEN1
SCHEMBL29444764 0.76 MTNR1A (0.63) MTNR1AMAPTFFAR1ALDH1A1MEN1

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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 MTNR1A 73/4885MAPT 1167/4885MAPK1 2258/4885

“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.