SCHEMBL7926059

SCHEMBL7926059

Cc1cc2occ(C)c2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.34
KCNA3 P22001 3/20 0.33
CYP1A2 P05177 2/20 0.33
KCNA2 P16389 1/20 0.33
KCNA1 Q09470 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1B1 P30837 1/20 0.33
ALDH1A3 P47895 1/20 0.33
ALOX15 P16050 1/20 0.33
IL5 P05113 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7920973 0.83 ALDH1A1 (0.42) UHRF1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8269299 0.80 PTPN1 (0.35) UHRF1KCNA3CYP1A2CYP2A6
SCHEMBL8809798 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL19248240 0.74 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL19248241 0.72 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8404362 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL7920634 0.67 CHRNB2 (0.40) UHRF1CYP1A2CYP2A6IL5
SCHEMBL8344021 0.67 CYP17A1 (0.40) ALDH1A1KDM4EKCNA3CYP1A2CYP2A6
SCHEMBL138354 0.66
SCHEMBL3872583 0.66 UHRF1 (0.46) UHRF1CYP1A2CYP2A6IL5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB UHRF1 1898/4885ALDH1A1 762/4885KDM4E 1415/4885

“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.