SCHEMBL18862820

SCHEMBL18862820

O=C(O)c1cc(C(=O)O)cc(-c2cc(Br)cc(Br)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
DHODH Q02127 4/20 0.47
POLB P06746 2/20 0.43
HCAR2 Q8TDS4 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
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
TPMT P51580 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CA3 P07451 1/20 0.41
MAPT P10636 1/20 0.41
SELL P14151 1/20 0.41

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
SCHEMBL18862777 0.93 POLB (0.50) TTRDHODHPOLBHCAR2CA12
SCHEMBL8361 0.85 TTR (0.56) TTRPOLBHCAR2CA12CA1
SCHEMBL23501889 0.85 TTR (0.56) TTRPOLBHCAR2CA12CA1
SCHEMBL475757 0.85 TTR (0.56) TTRPOLBHCAR2CA12CA1
SCHEMBL145349 0.84 DHODH (0.58) TTRDHODHCA12CA1CA2
SCHEMBL18875268 0.82 DHODH (0.36) TTRDHODHPOLBHCAR2TPMT
Hydrochloric Acid SCHEMBL11153457 0.82 TTR (0.54) TTRPOLBHCAR2CA12CA1
SCHEMBL27896747 0.82 TTR (0.54) TTRPOLBHCAR2CA12CA1
SCHEMBL30367425 0.82 RXRA (0.59) CA12CA1CA2CA9CA14
SCHEMBL12203147 0.82 DHODH (0.57) TTRDHODHCA12CA1CA2

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-10069082-B2 Organic electroluminescent compounds and organic optoelectronic devices comprising the same Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-09-04 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 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 (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-10069082-B2 Organic electroluminescent compounds and organic optoelectronic devices comprising the same OR10J3, PPOX, OR51E2 TTR 425/4885DHODH 905/4885POLB 1048/4885
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME OR10J3, PPOX, OR51E2 TTR 425/4885DHODH 905/4885POLB 1048/4885

“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.