SCHEMBL2698765

SCHEMBL2698765

C=C=C(Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.39
CES2 O00748 2/20 0.39
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AKT1 P31749 1/20 0.37
PTPN1 P18031 1/20 0.37
GSK3B P49841 1/20 0.37
F2 P00734 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL7040868 0.78 CES1 (0.39) CES1CES2TSHRDAONAPRT
SCHEMBL7040865 0.78 CES1 (0.39) CES1CES2TSHRDAONAPRT
SCHEMBL4931923 0.76 CES1 (0.43) CES1CES2TSHRDAONAPRT
SCHEMBL18428678 0.74 CA2 (0.42) CES1CES2TSHRDAONAPRT
SCHEMBL366630 0.74 CES1 (0.41) CES1CES2TSHRDAONAPRT
SCHEMBL297455 0.71
SCHEMBL16660765 0.70 PTPN1 (0.46) CES1CES2TSHRDAONAPRT
SCHEMBL24527556 0.70 CES1 (0.38) CES1CES2TSHRDAONAPRT
SCHEMBL6119229 0.70 CES1 (0.38) CES1CES2TSHRDAONAPRT
SCHEMBL2458795 0.70 CES2 (0.42) CES1CES2TSHRDAONAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104926867-A Preparation method for alkenyl phosphate compound UNIV BEIJING 2015-09-23 CN disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2651924-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-10-23 EP disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
EP-1991544-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-19 EP disclosed
WO-2007089857-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-09 WO disclosed
CN-1604900-A 6-aminomorphinane derivatives, method for production and use thereof ALCASYNN PHARMACEUTICALS GMBH (AT) 2005-04-06 CN disclosed
US-4083957-A SEPARATION OF SPERM, ELECTROSTATICS LANG JOHN L 1978-04-11 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CES1 396/4885CES2 626/4885TSHR 4834/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CES1 396/4885CES2 626/4885TSHR 4834/4885

“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.