SCHEMBL2783202

SCHEMBL2783202

O=C(O)c1ccc(C2(C(=O)O)C=CC=CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
SRD5A2 P31213 3/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
TYR P14679 1/20 0.35
DRD1 P21728 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
TPMT P51580 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8429154 0.95 BCL2L1 (0.40) TSHRTP53SRD5A2CA1CA2
SCHEMBL9458297 0.85 APP (0.33) CA1CA2CA12CA3TYR
Benzene SCHEMBL28354853 0.84 HDAC4 (0.41)
SCHEMBL4451679 0.84 HDAC4 (0.41)
SCHEMBL29628620 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29531155 0.73 HDAC4 (0.38) TSHRCA1CA2CA12CA3
SCHEMBL30159269 0.73 RARA (0.37) TSHRTP53SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL28525089 0.72 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL15529967 0.71 HDAC4 (0.39) TSHR
SCHEMBL3836530 0.71 HDAC4 (0.39) TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304754-A 2, 5-furan diformyl copolyester material and preparation method thereof 中国科学院大连化学物理研究所 2022-11-08 CN disclosed
CN-112020531-A Silicon-containing compound 信越化学工业株式会社 2020-12-01 CN disclosed
US-9409951-B2 Integrin targeted synthetic ligands for diagnostic and therapeutic applications BRACCO IMAGING S.P.A. (IT) 2016-08-09 US disclosed
EP-1853605-B1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING SPA (IT) 2014-09-10 EP disclosed
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 US disclosed
US-8636977-B2 Integrin targeted synthetic ligands for diagnostic and therapeutic applications BRACCO IMAGING S.P.A. (IT) 2014-01-28 US disclosed
US-7666979-B2 polyvalent targeting ligands that bind to cells used for diagnosis of diseases sensitivity to angiogenesis factor BRACCO INTERNATIONAL B.V. (NL) 2010-02-23 US disclosed
US-20080317668-A1 Integrin Targeted Synthetic Ligands for Diagnostic and Therapeutic Applications BRACCO IMAGING S.P.A. (IT) 2008-12-25 US disclosed
EP-1853605-A2 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS Bracco Imaging, S.P.A. (IT) 2007-11-14 EP disclosed
WO-2006095234-A2 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2006-09-14 WO disclosed
US-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same BRACCO SUISSE SA (CH) 2005-07-07 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 (3 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-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same LDHB, FPGS, MTHFD2 TSHR 3124/4885TP53 1914/4885SRD5A2 1853/4885
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS ITGA2B, ITGB2, ITGB1 TSHR 554/4885TP53 918/4885SRD5A2 4239/4885
US-20080317668-A1 Integrin Targeted Synthetic Ligands for Diagnostic and Therapeutic Applications ITGA2B, ITGB2, ITGB1 TSHR 554/4885TP53 918/4885SRD5A2 4239/4885

“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.