SCHEMBL5339706

SCHEMBL5339706

CC1(c2cccc(O)c2)OCCO1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.49
OPRK1 P41145 5/20 0.44
OPRM1 P35372 3/20 0.44
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 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
SCHEMBL7255673 0.81 OPRK1 (0.41) OPRD1OPRK1OPRM1
SCHEMBL3786132 0.78 SMN1; SMN2 (0.55) TSHRLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13006980 0.77 TSHR (0.41) TSHRLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4946908 0.77 TSHR (0.41) TSHRLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29841314 0.77 TSHR (0.41) OPRK1OPRM1TSHRLMNACA12
SCHEMBL855229 0.77 CHRNA1 (0.48) TSHRLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL12823209 0.77 TSHR (0.41) TSHRLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13897208 0.77 SLC6A3 (0.48) TSHRLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3212086 0.77 TSHR (0.41) OPRK1OPRM1TSHRLMNACA12
SCHEMBL29866208 0.77 TSHR (0.41) TSHRLMNAALDH1A1HSD17B10SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO 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-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 OPRD1 1792/4885OPRK1 1175/4885OPRM1 544/4885

“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.