SCHEMBL6553907

SCHEMBL6553907

CCOC(=O)c1cnccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
NUDT1 P36639 1/20 0.46
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
DCTPP1 Q9H773 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42

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
Bromide SCHEMBL28948302 0.98 TSHR (0.49) TSHRTP53CASP1CDC7DBF4
SCHEMBL629401 0.87 TSHR (0.50) TSHRTP53CASP1CDC7DBF4
SCHEMBL29837473 0.84 TSHR (0.60) TSHRTP53CASP1CDC7DBF4
SCHEMBL3515887 0.84 TSHR (0.60) TSHRTP53CASP1CDC7DBF4
SCHEMBL907851 0.83 SIRT3 (0.58) TSHRTP53CASP1CDC7DBF4
SCHEMBL29570949 0.83 SIRT3 (0.58) TSHRTP53CASP1CDC7DBF4
SCHEMBL18149317 0.81 TSHR (0.52) TSHRTP53CASP1CDC7DBF4
SCHEMBL6640350 0.81 CA12 (0.56) TSHRTP53CASP1CDC7DBF4
Ethane SCHEMBL28930003 0.81 SIRT3 (0.56) TSHRTP53CASP1CDC7DBF4
SCHEMBL2419079 0.81 KDM4E (0.59) CASP1HSD17B10POLBALDH1A1MEN1

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
US-12209089-B1 Pyrimido[1′,6′: 1,5]pyrazolo[4,3-c] [2,7] naphthyridines as CK2 inhibitors King Faisal University (SA) 2025-01-28 US disclosed
EP-1388534-A2 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors Allergan, Inc. (US) 2004-02-11 EP disclosed
US-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 US disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed
EP-1117628-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
US-6147224-A 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN SALES, INC. (US) 2000-11-14 US disclosed
WO-2000020370-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 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-12209089-B1 Pyrimido[1′,6′: 1,5]pyrazolo[4,3-c] [2,7] naphthyridines as CK2 inhibitors CDK2, CKS2, CSNK2A3 TSHR 3486/4885TP53 137/4885CASP1 1754/4885

“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.