SCHEMBL14750683

SCHEMBL14750683

COC(=O)C1(Oc2c(Br)ccc(OC)c2OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ DRD4 P21917 1/20 0.37

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
SCHEMBL14750671 0.85 ALDH1A1 (0.40) SMN1; SMN2MAPTLMNAALDH1A1MEN1
SCHEMBL16533373 0.77 ALDH1A1 (0.41) SMN1; SMN2MAPTHPGDRAB9AALDH1A1
SCHEMBL22123140 0.75 ALDH1A1 (0.35) SMN1; SMN2MAPTHPGDLMNAALDH1A1
SCHEMBL21695793 0.73 ALDH1A1 (0.36) TSHRAPOBEC3AHTTAPOBEC3GSMN1; SMN2
SCHEMBL2581410 0.73 KDM4E (0.52) SMN1; SMN2MAPTHPGDLMNARAB9A
SCHEMBL772484 0.73 CA2 (0.50) TSHRAPOBEC3AHTTAPOBEC3GMAPT
SCHEMBL30171329 0.73 CA2 (0.50) TSHRAPOBEC3AHTTAPOBEC3GMAPT
SCHEMBL2593101 0.72 TUBB4A (0.43) SMN1; SMN2HPGDALDH1A1
SCHEMBL14737718 0.72 KDM4E (0.41) SMN1; SMN2HPGDLMNARAB9AALDH1A1
SCHEMBL26123722 0.72 KMT2A (0.38) HTTSMN1; SMN2HPGDLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 — — EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 — — US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 — — US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 — — US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 — — 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 (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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A TSHR 2208/4885APOBEC3A 1065/4885HTT 4826/4885

“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.

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