SCHEMBL580496

SCHEMBL580496

COc1ccc(C(C)(C)C)cc1[C@@H](CCO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TNF P01375 1/20 0.38
CTSA P10619 7/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASR P41180 2/20 0.37
BCHE P06276 1/20 0.37
BACE1 P56817 1/20 0.37
MAPK14 Q16539 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
SCHEMBL579703 1.00 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL27450020 0.84 CALM1 (0.43) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL580317 0.83 CTSA (0.51) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL587249 0.83 CTSA (0.51) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL580339 0.82 KMT2A (0.46) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL580382 0.82 KMT2A (0.46) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL615095 0.82 MAPT (0.46) TSHRMEN1KMT2ATNFMAPT
SCHEMBL11387106 0.81 MEN1 (0.50) CYP1A2CYP3A4TSHRCYP2C19MEN1
SCHEMBL9231158 0.81 LMNA (0.50) TSHRTNFHTTMAPTNPSR1
SCHEMBL580171 0.81 TNF (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 CYP1A2 426/4885CYP3A4 1373/4885CYP2C9 1613/4885

“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.