SCHEMBL16618478

SCHEMBL16618478

OCc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
TSHR P16473 2/20 0.39
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 4/20 0.37
CYP2A6 P11509 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PYCR1 P32322 1/20 0.35

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
SCHEMBL308282 0.88 TSHR (0.48) TSHRKDM4EALDH1A1MAPTMEN1
SCHEMBL104349 0.85
Hydrogen Sulfide SCHEMBL27475001 0.83 TSHR (0.48) TAAR1TSHRHTR2AMEN1KMT2A
SCHEMBL27556453 0.83 TSHR (0.48) TAAR1TSHRHTR2AMEN1KMT2A
SCHEMBL309287 0.81 MKNK1 (0.45) TSHRMEN1KMT2ACA1CA2
SCHEMBL13599813 0.81 MKNK1 (0.45) TSHRMEN1KMT2ACA1CA2
SCHEMBL22941869 0.81 MKNK1 (0.45) TSHRMEN1KMT2ACA1CA2
SCHEMBL9891695 0.81 TSHR (0.48) TSHRALDH1A1HPGDMEN1KMT2A
Ethylene SCHEMBL27826005 0.80 TSHR (0.46) TAAR1TSHRHTR2AIDO1CYP2A6
SCHEMBL23714869 0.80 CYP2A6 (0.57) TAAR1TSHRHTR2AKDM4EALDH1A1

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
CN-108610471-B Photocrosslinkable hole transport polymer and preparation method and application thereof 华南理工大学 2020-04-28 CN disclosed
CN-108610471-A A kind of hole transport polymer of Photocrosslinkable and the preparation method and application thereof 华南理工大学 2018-10-02 CN disclosed
US-9944593-B2 Process for the synthesis of fluoralkyl sulfonate salts SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2018-04-17 US disclosed
US-20160237028-A1 PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2016-08-18 US disclosed
EP-3052474-A1 PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS Solvay Specialty Polymers Italy S.p.A. (IT) 2016-08-10 EP disclosed
WO-2015049239-A1 PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2015-04-09 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 (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-20160237028-A1 PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS PFAS, SRM, GMPS TAAR1 1641/4885TSHR 673/4885HTR2A 1371/4885

“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.