SCHEMBL18493450

SCHEMBL18493450

O=S(=O)(O)c1cccc(-c2[c]ccc(Cl)c2S(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTPN11 Q06124 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ FLT1 P17948 2/20 0.32
▸ FLT4 P35916 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ PGR P06401 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL9845526 0.72 TSHR (0.46) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL975190 0.72 TSHR (0.61) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL309222 0.71 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL15509798 0.70 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL27903792 0.70 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL5081851 0.70 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL1416443 0.70 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL308891 0.69 KAT6A (0.53) TSHRALDH1A1HSD17B10TDP1PTPN11
SCHEMBL5509097 0.69 CYP2C9 (0.35) TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL13520437 0.68 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10TDP1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093606-B2 Method of producing farnesyl acetone BASF SE (REITSTÖTTER, KINZEBACH & PARTNER) (DE) 2018-10-09 — — US disclosed
US-20170044084-A1 METHOD OF PRODUCING FARNESYL ACETONE BASF SE (DE) 2017-02-16 — — 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 (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-10093606-B2 Method of producing farnesyl acetone FNTA, FDPS, FNTB TSHR 3441/4885ALDH1A1 514/4885HSD17B10 227/4885
US-20170044084-A1 METHOD OF PRODUCING FARNESYL ACETONE FNTA, FDPS, FNTB TSHR 3441/4885ALDH1A1 514/4885HSD17B10 227/4885

“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.

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