SCHEMBL6733446

SCHEMBL6733446

CCNC(C)O.CNC(C)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CHRM2 P08172 1/20 0.30
ADRA1A P35348 1/20 0.30
RGS12 O14924 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
HTR2A P28223 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
GNAI1 P63096 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL96784 0.91
SCHEMBL28095746 0.91 TSHR (0.41) TSHR
SCHEMBL27943295 0.88
Hydrochloric Acid SCHEMBL15993889 0.88
Water SCHEMBL27585514 0.88
SCHEMBL17923723 0.88
SCHEMBL27832790 0.88
SCHEMBL27740486 0.88
Ethane SCHEMBL27890282 0.88
Acetic Acid SCHEMBL8850219 0.78 FFAR3 (0.37) TSHRCYP2D6CYP2C19

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
US-20030202951-A1 Method for reducing the appearance of dark circles under the eyes COLE CURTIS (US) 2003-10-30 US claimed
US-6680122-B2 ELECTRODEPOSITION OF PAINT KANSAI PAINT CO., LTD. (JP) 2004-01-20 US disclosed
US-20020119318-A1 Cationic paint composition KANSAI PAINT CO., LTD. (JP) 2002-08-29 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-20030202951-A1 Method for reducing the appearance of dark circles under the eyes AOC3, ACOX3, AOC2 TSHR 3418/4885CHRM2 257/4885ADRA1A 139/4885

“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.