SCHEMBL2203728

SCHEMBL2203728

CC(CC(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.57
UGT2B7 P16662 1/20 0.55
MMP9 P14780 1/20 0.49
SLC22A12 Q96S37 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
TPH1 P17752 1/20 0.46

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
SCHEMBL7677411 0.87 UGT2B7 (0.51) FFAR1UGT2B7MMP9MEN1CYP1A2
SCHEMBL27989030 0.85 TNF (0.56) UGT2B7MMP9MEN1CYP1A2CYP2D6
SCHEMBL27980860 0.85 TNF (0.56) UGT2B7MMP9MEN1CYP1A2CYP2D6
SCHEMBL6172465 0.85 TNF (0.56) UGT2B7MMP9MEN1CYP1A2CYP2D6
SCHEMBL657936 0.82 GABBR2 (0.50) UGT2B7CYP2D6
SCHEMBL12320565 0.82 SLC6A2 (0.54) UGT2B7CYP2D6
SCHEMBL12278973 0.82 UGT2B7 (0.50) UGT2B7MMP9CYP2D6
SCHEMBL17451237 0.82 UGT2B7 (0.50) UGT2B7MMP9MEN1CYP1A2CYP2D6
SCHEMBL3967988 0.82 ABCB11 (0.67) FFAR1CYP1A2TSHR
SCHEMBL5320805 0.81 UGT2B7 (0.49) UGT2B7MMP9MEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982064-B2 Method for preparing ortho-substituted aminoferrocenes BROCK UNIVERSITY (CA) 2011-07-19 US disclosed
US-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES BROCK UNIVERSITY (CA) 2010-06-03 US disclosed
US-4847413-A Process for preparing 2-methyl-2-(methylsulfonyl) propionaldehyde O-(methylcarbamoyl) oxime as a water-wet cake RHONE-POULENC NEDERLAND, B.V. (NL) 1989-07-11 US disclosed
US-4097526-A OXIDIZING SULFIDE COMPOUND WITH HYDROGEN PEROXIDE, A CARBOXYLIC ACID, MINERAL OR SULFONIC ACID CATALYSTS UNION CARBIDE CORPORATION (US) 1978-06-27 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-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES LPO, AOC1, AOC2 FFAR1 757/4885UGT2B7 2293/4885MMP9 4563/4885

“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.