SCHEMBL2600451

SCHEMBL2600451

CN(CC1C=CC(=O)O1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TYR P14679 1/20 0.31
EPHX2 P34913 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL2600456 0.82 CES2 (0.30)
SCHEMBL2600461 0.82 CA12 (0.40) LMNAALDH1A1HSD17B10
SCHEMBL2080674 0.73 INSR (0.38) LMNAALDH1A1TSHRHSD17B10
SCHEMBL2600452 0.66
SCHEMBL22680865 0.66 CSF1R (0.40) HDAC8
SCHEMBL11987743 0.65 ADRA2A (0.46) NR1H4LMNAALDH1A1TSHRHSD17B10
SCHEMBL2600455 0.65 TAAR1 (0.42) ALDH1A1TSHRHSD17B10
SCHEMBL14112771 0.64 L3MBTL1 (0.44) NR1H4LMNAALDH1A1TSHRHSD17B10
SCHEMBL13336146 0.63 LMNA (0.46) NR1H4LMNAALDH1A1TSHRHSD17B10
SCHEMBL18181596 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 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-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 NR1H4 585/4885LMNA 4340/4885ALDH1A1 530/4885

“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.