SCHEMBL17239669

SCHEMBL17239669

CC(C)(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CC(C)(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.Cl[Pd]Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
POLB P06746 1/20 0.36
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HDAC1 Q13547 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL2548631 0.91 TSHR (0.48) TSHRLMNATYRPOLBKIF11
Hydrochloric Acid SCHEMBL29591258 0.89 TSHR (0.46) TSHRLMNATYRPOLBKIF11
SCHEMBL29670197 0.89 TSHR (0.46) TSHRLMNATYRPOLBKIF11
SCHEMBL23145206 0.83 AHR (0.35) TSHRLMNAKIF11ALDH1A1
SCHEMBL17239684 0.80 TSHR (0.37) TSHRACHETDP1
SCHEMBL17239672 0.78 ACHE (0.33) ACHE
SCHEMBL17239678 0.78 GABRA1 (0.39) POLBMAPTGAA
SCHEMBL2557952 0.78
SCHEMBL1743625 0.77 CYP3A4 (0.38) TSHRALDH1A1MAPK1ALOX15TDP1
SCHEMBL1304876 0.77 CYP3A4 (0.38) TSHRALDH1A1MAPK1ALOX15TDP1

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 TSHR 3555/4885LMNA 4513/4885TYR 11/4885

“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.