SCHEMBL18517554

SCHEMBL18517554

COc1cc(CNC(=O)CC(C)C)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.70
CYP3A4 P08684 4/20 0.70
CYP2D6 P10635 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP2C19 P33261 3/20 0.70
BLM P54132 2/20 0.70
PMP22 Q01453 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
POLB P06746 1/20 0.70
TSHR P16473 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64

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
SCHEMBL28721168 0.89 ALDH1A1 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20553891 0.87 TRPV1 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15862319 0.86 CYP1A2 (0.77) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6565604 0.85 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8168115 0.84 ALDH1A1 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17205705 0.84 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24092698 0.83 CYP1A2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7932225 0.83 CYP1A2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9059706 0.82 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Dihydrocapsaicin SCHEMBL119080 0.82 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-10752582-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2020-08-25 US disclosed
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2017-02-16 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 (2 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-10752582-B2 Augmenting moieties for anti-inflammatory compounds PTGES, PTGES3, LRBA CYP1A2 955/4885CYP3A4 403/4885CYP2D6 1128/4885
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA CYP1A2 955/4885CYP3A4 403/4885CYP2D6 1128/4885

“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.