SCHEMBL6152814

SCHEMBL6152814

CC1(C)COc2ccc(B(O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
RARB P10826 4/20 0.44
RARG P13631 4/20 0.44
RARA P10276 3/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
RXRA P19793 1/20 0.40
ENPP2 Q13822 2/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ACACB O00763 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
SCHEMBL8982307 0.77 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1
SCHEMBL2434643 0.74 NOTUM (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL720137 0.74 NOTUM (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL3421790 0.73 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1
SCHEMBL2618847 0.73 BACE1 (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL2631356 0.73 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1
SCHEMBL16178963 0.73 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1
SCHEMBL3550976 0.72 RARB (0.47) NOTUMRARBRARGRARAPTGS1
SCHEMBL6154102 0.72 PTGS2 (0.35) NOTUMPTGS1PTGS2
SCHEMBL6156019 0.72

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
EP-1499604-A1 DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan, Inc. (US) 2005-01-26 EP disclosed
EP-1463718-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER Incyte San Diego Incorporated (US) 2004-10-06 EP disclosed
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer INCYTE SAN DIEGO INCORPORATED 2004-05-20 US disclosed
US-6720423-B2 SKIN RELATED DISEASES; PROMOTE THE EXPRESSION OF OR BIND TO RECEPTORS BELONGING TO THE STEROID OR THYROID RECEPTOR SUPERFAMILY. ALLERGAN, INC. 2004-04-13 US disclosed
US-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN, INC. 2003-11-20 US disclosed
WO-2003093257-A1 DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN, INC. (US) 2003-11-13 WO disclosed
WO-2003050098-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER INCYTE SAN DIEGO INCORPORATED (US) 2003-06-19 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-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors RXRB, RXRA, RXRG NOTUM 2588/4885RARB 4/4885RARG 6/4885
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer PTPA, PTPRC, PTPRCAP NOTUM 2424/4885RARB 2680/4885RARG 2791/4885

“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.