SCHEMBL6787449

SCHEMBL6787449

COc1ccc(C(Br)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.56
LTA4H P09960 2/20 0.54
KIF11 P52732 9/20 0.53
KCNH2 Q12809 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TRPA1 O75762 1/20 0.48
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
BACE1 P56817 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7021665 1.00 CA4 (0.56) CA4LTA4HKIF11KCNH2CA12
SCHEMBL7030329 0.91 CA1 (0.61) CA4LTA4HCA12CA1CA2
SCHEMBL28067932 0.84 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL8858901 0.84 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL10112758 0.84 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL14856630 0.84 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL5051055 0.84 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL8648265 0.84 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL1286989 0.84 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL4570566 0.82 CA4 (0.56) CA4LTA4HKIF11KCNH2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720039-A2 FORMULATIONS CONTAINING TRYPTAMINE DERIVATIVES AND USES THEREOF Psilera Inc. (US) 2026-04-08 EP claimed
WO-2024243488-A2 FORMULATIONS CONTAINING TRYPTAMINE DERIVATIVES AND USES THEREOF PSILERA INC. (US) 2024-11-28 WO claimed
US-20040185459-A1 Diagnostic nucleotide/protein sequences for monitoring and identifying restriction fragment length polymorphisms GENOX RESEARCH, INC. (JP) 2004-09-23 US disclosed
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2002081441-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2002-10-17 WO disclosed
EP-0305201-B1 Protected biotin derivatives ZENECA LTD (GB) 1996-12-04 EP disclosed
US-5247081-A Labeled polynucleotide probes used as diagnostic tools for clinical and research uses IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-21 US disclosed
EP-0305201-A2 Protected biotin derivatives ZENECA LIMITED (GB) 1989-03-01 EP 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-20040185459-A1 Diagnostic nucleotide/protein sequences for monitoring and identifying restriction fragment length polymorphisms UNG, DCLRE1B, FEN1 CA4 3413/4885LTA4H 3996/4885KIF11 3614/4885
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation NEU4, NEU2, NEU1 CA4 570/4885LTA4H 309/4885KIF11 2833/4885

“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.