SCHEMBL7144622

SCHEMBL7144622

CC1(CO)CCOc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
HTT P42858 1/20 0.35
MAP3K14 Q99558 2/20 0.35
GAA P10253 1/20 0.34
LDHA P00338 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL3424828 0.90 ITGB2 (0.39) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL29960585 0.81 HTR2A (0.40) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL11886853 0.81 AKR1B1 (0.47) KMT2ASMN1; SMN2HTTGAA
SCHEMBL7143121 0.80 KMT2A (0.39) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL3421953 0.79 ITGB2 (0.35) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL3428659 0.79 KMT2A (0.36) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL25871757 0.79 ITGB2 (0.41) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL7143699 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2GAA
SCHEMBL30403463 0.77 ITGB2 (0.43) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL5175220 0.76 KMT2A (0.33) ITGB2ICAM1ITGALKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
EP-1212316-B1 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS HOFFMANN LA ROCHE (CH) 2003-10-15 EP disclosed
US-6479670-B1 Selective retinoid acid receptor agonists HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
EP-1212316-A2 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-12 EP disclosed
WO-2001014360-A2 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2001-03-01 WO 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ITGB2 3968/4885ICAM1 1123/4885ITGAL 3416/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ITGB2 3968/4885ICAM1 1123/4885ITGAL 3416/4885

“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.