SCHEMBL3606171

SCHEMBL3606171

CC1(C)Cc2c(O)ccc(C#N)c2O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.34
AR P10275 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
UPP1 Q16831 1/20 0.30
LMNA P02545 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
SCHEMBL6111224 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3609698 0.73 PIK3CD (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3603134 0.73 AR (0.48) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6718091 0.71 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL23027466 0.70 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11218997 0.70 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9928247 0.70 CETP (0.33) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL3603133 0.68 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL10996324 0.67 KMT2A (0.35) KMT2AHPGD
SCHEMBL10989535 0.65 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 ALDH1A1 1763/4885KDM4E 1187/4885MEN1 3834/4885

“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.