SCHEMBL188157

SCHEMBL188157

O=CC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
TK1 P04183 7/20 0.36
DUT P33316 2/20 0.34
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A1 P30531 1/20 0.33
TK2 O00142 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
PPARG P37231 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
SCHEMBL3082091 0.73 KIF11 (0.46) KIF11TK1DUTCYP2C9ALOX15
SCHEMBL6170590 0.70 TSHR (0.48) CYP2C9TSHRCYP2C19MEN1KMT2A
SCHEMBL22091847 0.70 KIF11 (0.43) KIF11TK1DUTCYP2C9ALOX15
SCHEMBL29805216 0.70 KIF11 (0.43) KIF11TK1CYP2C9ALOX15TSHR
SCHEMBL7524693 0.70 KIF11 (0.50) KIF11TK1DUTCYP2C9ALOX15
SCHEMBL13479250 0.68 TDP1 (0.49) CYP2C9TSHRCYP2C19KMT2A
SCHEMBL20569075 0.67 KIF11 (0.44) KIF11TK1DUTCYP2C9ALOX15
SCHEMBL187156 0.67 SMYD2 (0.37)
SCHEMBL9039609 0.67 KIF11 (0.57) KIF11TK1DUTCYP2C9ALOX15
SCHEMBL9865376 0.66 KIF11 (0.56) KIF11TK1DUTCYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829190-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2014-09-09 US disclosed
US-8829190-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2014-09-09 US disclosed
US-8829190-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2014-09-09 US disclosed
EP-2146989-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2012-01-04 EP disclosed
EP-2146989-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2012-01-04 EP disclosed
US-20100113442-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES FELDING JAKOB 2010-05-06 US disclosed
US-20100113442-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES FELDING JAKOB 2010-05-06 US disclosed
US-20100113442-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES FELDING JAKOB 2010-05-06 US disclosed
EP-2146989-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES Leo Pharma A/S (DK) 2010-01-27 EP disclosed
WO-2008125111-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2008-10-23 WO disclosed
WO-2008125111-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2008-10-23 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 (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-20100113442-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES PDE5A, PDE3A, PDE3B KIF11 4167/4885TK1 124/4885DUT 236/4885

“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.