SCHEMBL3364840

SCHEMBL3364840

CC(O)(c1ccccc1)c1cccc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
KIF11 P52732 1/20 0.49
KMO O15229 1/20 0.48
SRD5A2 P31213 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
ACHE P22303 3/20 0.46
AKR1C3 P42330 1/20 0.46
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR4A1 P22736 1/20 0.43

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
SCHEMBL29486118 0.85 RXRA (0.54) RXRARXRBKIF11KMOSRD5A2
SCHEMBL2637669 0.85 RXRA (0.54) RXRARXRBKIF11KMOSRD5A2
SCHEMBL30354047 0.83 RXRA (0.53) RXRARXRBKIF11KMOSRD5A2
SCHEMBL179538 0.82 RXRA (0.66) RXRARXRBSRD5A2CA12CA1
SCHEMBL29466781 0.82 RXRA (0.56) RXRARXRBKIF11KMOSRD5A2
SCHEMBL1041916 0.82 RXRA (0.56) RXRARXRBKIF11KMOSRD5A2
SCHEMBL11432364 0.82 KMT2A (0.46) TSHRCYP2C9CYP1A2HSD17B10
SCHEMBL19987946 0.81 RXRA (0.64) RXRARXRBSRD5A2CA12CA1
SCHEMBL1237699 0.80 CA12 (0.54) RXRARXRBKIF11KMOSRD5A2
SCHEMBL1635891 0.79 ESR1 (0.55) RXRARXRBKIF11KMOSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A RXRA 4103/4885RXRB 3997/4885KIF11 4652/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 RXRA 858/4885RXRB 857/4885KIF11 3923/4885

“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.