SCHEMBL1808476

SCHEMBL1808476

CCOc1ccc(C(=O)OC)cc1OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
MAPK1 P28482 2/20 0.61
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
TP53 P04637 1/20 0.56
CREBBP Q92793 2/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
CASP6 P55212 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL1015707 0.93 TSHR (0.73) TSHRMAPK1TP53CREBBPMAPT
SCHEMBL6381826 0.93 MAPK1 (0.67) TSHRMAPK1TP53CREBBPMAPT
SCHEMBL18660055 0.91 HDAC3 (0.59) TSHRMAPK1HDAC3HDAC1HDAC2
SCHEMBL30820546 0.87 SMN1; SMN2 (0.62) TSHRHDAC1MAPTPOLBLMNA
SCHEMBL18660058 0.87 SMN1; SMN2 (0.62) TSHRHDAC1MAPTPOLBLMNA
SCHEMBL28033773 0.87 PDE4B (0.55) TSHRMAPK1ALDH1A1
SCHEMBL18655509 0.86 CA12 (0.61) TSHRMAPK1TP53CREBBPMAPT
SCHEMBL5334070 0.86 ALDH1A1 (0.57) TSHRMAPK1CREBBPMAPTPOLB
SCHEMBL6509038 0.86 TAS1R3 (0.62) TSHRMAPK1TP53CREBBPMAPT
SCHEMBL10958234 0.86 NOTUM (0.56) TSHRMAPK1TP53CREBBPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085429-B Aromatic heterocyclic derivative and application thereof in medicines 广东东阳光药业有限公司 2019-12-10 CN disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R TSHR 619/4885MAPK1 986/4885HDAC3 793/4885

“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.