SCHEMBL17763412

SCHEMBL17763412

O=C(C(Br)Cc1ccccc1)C(Br)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
MDM2 Q00987 1/20 0.50
CPA1 P15085 3/20 0.48
CPA3 P15088 3/20 0.48
FOLH1 Q04609 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
SRR Q9GZT4 2/20 0.47
EPHX1 P07099 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KEAP1 Q14145 1/20 0.46

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
SCHEMBL490844 0.86 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4826192 0.86 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4316458 0.86 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL10431446 0.86 EPHX1 (0.49) CYP1A2ALPIPKMPTGS1XIAP
Bromide SCHEMBL1596942 0.84 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL1596941 0.84 CYP1A2 (0.54) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL27964016 0.83 FFAR1 (0.57)
SCHEMBL3713994 0.83 ALPI (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL5246633 0.83 EPHX1 (0.58) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL1173417 0.83 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856229-B2 Method for producing cyclic carbonate NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2018-01-02 US disclosed
US-20160145234-A1 METHOD FOR PRODUCING CYCLIC CARBONATE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-05-26 US disclosed
EP-3023418-A1 METHOD FOR MANUFACTURING CYCLIC CARBONATE National Institute of Advanced Industrial Science and Technology (JP) 2016-05-25 EP disclosed
CN-105452441-A Serum-free medium containing PDGF for DS cells SHISEIDO CO LTD 2016-03-30 CN disclosed
CN-105283542-A Method for producing kidney precursor cells and drug containing kidney precursor cells NAT UNIV CORP KYOTO UNIV 2016-01-27 CN disclosed
CN-101479376-A Cell cluster comprising plural kinds of cells derived from soma with ability to form primitive organ-like structure SHISEIDO CO LTD (JP) 2009-07-08 CN 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-20160145234-A1 METHOD FOR PRODUCING CYCLIC CARBONATE CA7, CA2, CA4 CYP1A2 501/4885ALPI 119/4885PKM 2371/4885

“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.