SCHEMBL17239683

SCHEMBL17239683

Cc1cc(C)cc(P(C(C)(C)C)C(C)(C)C)c1.Cc1cc(C)cc(P(C(C)(C)C)C(C)(C)C)c1.Cl[Pd]Cl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15603766 0.90 ALDH1A1 (0.38) ALDH1A1TSHRCA2POLBTYR
SCHEMBL17239684 0.79 TSHR (0.37) TSHR
SCHEMBL17239678 0.77 GABRA1 (0.39) POLB
SCHEMBL17239660 0.74 ALDH1A1 (0.44) ALDH1A1CA2
SCHEMBL17239666 0.74 HSPA5 (0.31)
SCHEMBL20591137 0.73 ACHE (0.41) ALDH1A1
SCHEMBL1743625 0.71 CYP3A4 (0.38) ALDH1A1TSHR
SCHEMBL1304876 0.71 CYP3A4 (0.38) ALDH1A1TSHR
SCHEMBL16694111 0.71 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL20591109 0.71

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 ALDH1A1 2296/4885TSHR 3555/4885CA2 1064/4885

“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.