SCHEMBL20323366

SCHEMBL20323366

C[C@@H]1C[C@H](C)C12COc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
AKR1B1 P15121 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL15107404 1.00 ABCG2 (0.32) ABCG2ITGB2ICAM1ITGALAKR1B1
SCHEMBL6124181 0.85 ABCG2 (0.34) ABCG2ITGB2ICAM1ITGALAKR1B1
SCHEMBL14436805 0.76 CHRNA7 (0.40) AKR1B1CHRM2CHRM1CHRM3
SCHEMBL20323470 0.71 MEN1 (0.36)
SCHEMBL6124180 0.70 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL321566 0.70 NOTUM (0.42) ABCG2ITGB2ICAM1ITGAL
SCHEMBL9833025 0.69 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGAL
SCHEMBL29447257 0.69 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGAL
SCHEMBL29447260 0.69 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGAL
SCHEMBL29447261 0.69 ABCG2 (0.42) ABCG2ITGB2ICAM1ITGAL

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-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 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-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ABCG2 1773/4885ITGB2 3968/4885ICAM1 1123/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ABCG2 1773/4885ITGB2 3968/4885ICAM1 1123/4885

“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.