SCHEMBL2184753

SCHEMBL2184753

Nc1cccc([CH]Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
UNG P13051 1/20 0.44
CYP19A1 P11511 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PBRM1 Q86U86 1/20 0.40
BCL2 P10415 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 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
SCHEMBL2184106 0.85 ALDH1A1 (0.44) NPSR1TRIM24TRIM33UNGCYP19A1
SCHEMBL8669208 0.78 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2CA1CA2
SCHEMBL2183782 0.78 NPSR1 (0.53) NPSR1TRIM24TRIM33UNGCYP19A1
SCHEMBL2183578 0.78 CYP19A1 (0.43) NPSR1CYP19A1MAOAMAOBALDH1A1
SCHEMBL8670587 0.77 CYP19A1 (0.48) NPSR1CYP19A1MAOAMAOBALDH1A1
Terephthalic Acid SCHEMBL8011410 0.76 TSHR (0.57) NPSR1PBRM1RXRARXRBTSHR
SCHEMBL8668550 0.74 UNG (0.62) UNGANPEPENPEP
Aminomethylbenzoic Acid SCHEMBL4654815 0.74 PBRM1 (0.53) ALDH1A1PBRM1TSHRCA1CA2
SCHEMBL6866238 0.74 PLA2G2A (0.53) CYP19A1MAOAMAOBALDH1A1BCL2
SCHEMBL2185169 0.71 RXRA (0.53) ALDH1A1RXRARXRBTSHRSRD5A2

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
US-20110165700-A1 CLASSES OF COMPOUNDS THAT INTERACT WITH INTEGRINS ALCHEMIA LIMITED (AU) 2011-07-07 US claimed
US-20080176936-A1 Classes of Compounds that Interact with Integrins ALCHEMIA LIMITED (AU) 2008-07-24 US claimed
US-20110165700-A1 CLASSES OF COMPOUNDS THAT INTERACT WITH INTEGRINS ALCHEMIA LIMITED (AU) 2011-07-07 US disclosed
US-20080176936-A1 Classes of Compounds that Interact with Integrins ALCHEMIA LIMITED (AU) 2008-07-24 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-20080176936-A1 Classes of Compounds that Interact with Integrins ITGB3, ITGB5, ITGA5 NPSR1 91/4885TRIM24 1957/4885TRIM33 1437/4885

“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.