SCHEMBL19979629

SCHEMBL19979629

CC(C)C(C)c1ccc(-c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
MMP12 P39900 2/20 0.40
MMP13 P45452 2/20 0.40
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
PIM3 Q86V86 2/20 0.36
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PAX8 Q06710 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL9916238 0.87 GPR3 (0.47) GPR3MMP12MMP13MAPTALDH1A1
SCHEMBL9916231 0.87 GPR3 (0.47) GPR3MMP12MMP13MAPTALDH1A1
SCHEMBL9916222 0.87 GPR3 (0.47) GPR3MMP12MMP13MAPTALDH1A1
SCHEMBL23719235 0.87 GPR3 (0.50) GPR3MMP12MMP13MAPTALDH1A1
SCHEMBL19387226 0.87 GPR3 (0.50) GPR3MMP12MMP13MAPTALDH1A1
SCHEMBL23920635 0.84 LIMK1 (0.37) GPR3MMP12MMP13MAPTALDH1A1
SCHEMBL15836028 0.81 GPR3 (0.67) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL15836057 0.81 GPR3 (0.67) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL20706794 0.81 GPR3 (0.67) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL14410443 0.81 GPR3 (0.67) GPR3MAPTALDH1A1RAB9AHPGD

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-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 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-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG GPR3 2961/4885MMP12 2958/4885MMP13 4780/4885

“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.