SCHEMBL1284358

SCHEMBL1284358

O=C(O)CCCCCON=C(c1ccccc1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.79
TBXAS1 P24557 7/20 0.77
PPARA Q07869 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56

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
SCHEMBL10892857 0.95 TBXA2R (0.74) TBXA2RTBXAS1PPARA
SCHEMBL9602658 0.87 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL9602647 0.87 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL9602582 0.79 TBXA2R (0.85) TBXA2RTBXAS1
SCHEMBL9602592 0.79 TBXA2R (0.85) TBXA2RTBXAS1
SCHEMBL3883360 0.79 TBXA2R (0.54) TBXA2RTBXAS1
Benzylamine SCHEMBL11526467 0.77 TBXA2R (0.53) TBXA2RTBXAS1
SCHEMBL9601444 0.77 TBXA2R (0.76) TBXA2RTBXAS1
SCHEMBL9601449 0.77 TBXA2R (0.76) TBXA2RTBXAS1
SCHEMBL8613026 0.77 TBXA2R (0.51) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410161-B2 Thioxanthone ring system derivatives NATIONAL DEFENSE MEDICAL CENTER (TW) 2013-04-02 US disclosed
US-20120088810-A1 THIOXANTHONE RING SYSTEM DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-12 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-20120088810-A1 THIOXANTHONE RING SYSTEM DERIVATIVES TST, TXN, XDH TBXA2R 7/4885TBXAS1 5/4885PPARA 1615/4885

“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.