SCHEMBL7126237

SCHEMBL7126237

CC1(C)Oc2cc3c(cc2O1)C(=O)C=CC3=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CDC25B P30305 2/20 0.37
PIM1 P11309 1/20 0.35
IDO1 P14902 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AKT1 P31749 1/20 0.33
SNCA P37840 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PIN1 Q13526 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
NSD1 Q96L73 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
KIF11 P52732 1/20 0.33
USP7 Q93009 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL7519328 0.74 TSHR (1.00) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL17171671 0.69 TSHR (0.77) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL21133255 0.67 TSHR (0.72) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL20276014 0.67 TSHR (0.62) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL8311560 0.65 TSHR (0.68) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL1797581 0.64 ALDH1A1 (0.50) TSHRCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL3197749 0.64 PIM1 (0.48) CDC25BPIM1IDO1MAOAMAOB
SCHEMBL8810467 0.64 CDC25B (0.41) CDC25BPIM1USP7FNTAFNTB
SCHEMBL8313566 0.62 CYP1A2 (0.76) TSHRCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL14418578 0.62 TSHR (0.62) TSHRCYP1A2CYP2C9CYP2C19KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667278-B2 Include two bicyclic subunits each having vicinal diol group and polar unit and linked by linking moiety such that vicinal diol groups and polar unit are closely superimposable on corresponding functional groups in brassinosteroid UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2003-12-23 US disclosed
US-20020115570-A1 Non-steroidal mimetics of brassinolide UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2002-08-22 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-20020115570-A1 Non-steroidal mimetics of brassinolide BRDT, BRD1, NR5A1 TSHR 3248/4885CYP1A2 2401/4885CYP2C9 4260/4885

“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.