SCHEMBL17239656

SCHEMBL17239656

COc1ccccc1P(C1CCCCC1)C1CCCCC1.COc1ccccc1P(C1CCCCC1)C1CCCCC1.Cl[Pd]Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 4/20 0.36
ABCB1 P08183 1/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 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
SCHEMBL17240343 0.98 CA12 (0.38) SMN1; SMN2LMNANPSR1CA12CA1
SCHEMBL29527648 0.94 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPSR1CA12CA1
SCHEMBL6651864 0.94 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPSR1CA12CA1
SCHEMBL29527801 0.92 CA1 (0.43) SMN1; SMN2LMNANPSR1CA12CA1
SCHEMBL16694568 0.92 CA1 (0.43) SMN1; SMN2LMNANPSR1CA12CA1
SCHEMBL30829086 0.90 CA1 (0.41) SMN1; SMN2LMNANPSR1CA12CA1
SCHEMBL28824636 0.88 SMN1; SMN2 (0.38) SMN1; SMN2LMNANPSR1CA12CA1
SCHEMBL18185620 0.87
SCHEMBL1291696 0.81 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHPGDTSHRKMT2A
SCHEMBL30821692 0.81 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHPGDTSHRKMT2A

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
EP-2871198-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-06-14 EP disclosed
US-9453103-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-27 US disclosed
US-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 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 (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-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, DDT SMN1; SMN2 3890/4885LMNA 4513/4885NPSR1 2365/4885

“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.