SCHEMBL3487781

SCHEMBL3487781

CCN(CC)c1ccccc1C(c1ccccc1)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
HPGD P15428 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1778574 0.90 TSHR (0.48) TSHRGABRA1GABRB2LMNAPOLB
SCHEMBL6681612 0.90 LMNA (0.41) TSHRLMNANR1H2NR1H3MAPT
SCHEMBL30326964 0.81 CNR2 (0.47) TSHRGABRA1GABRB2NR1H2NR1H3
SCHEMBL30125051 0.79 TSHR (0.38) TSHRLMNAALDH1A1MAPTCYP1A2
SCHEMBL1552804 0.79 TSHR (0.38) TSHRLMNAALDH1A1MAPTCYP1A2
SCHEMBL51106 0.79 GABRA1 (0.52) TSHRGABRA1GABRB2LMNAPOLB
SCHEMBL9560020 0.77 MAPT (0.49) LMNANR1H2NR1H3ALDH1A1MAPT
SCHEMBL982045 0.75 GABRA1 (0.52) TSHRGABRA1GABRB2LMNAPOLB
SCHEMBL7901304 0.74 TSHR (0.38) TSHRLMNANR1H2NR1H3ALDH1A1
SCHEMBL10333062 0.73 ALDH1A1 (0.42) TSHRLMNAPOLBALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047296-A1 Low-Residue Cosmetic Or Dermatological Stick Based On An Oil-In-Water Dispersion/Emulsion III HENKEL AG & CO. KGAA (DE) 2010-02-25 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-20100047296-A1 Low-Residue Cosmetic Or Dermatological Stick Based On An Oil-In-Water Dispersion/Emulsion III TYR, POLR1C, CUTA TSHR 1771/4885GABRA1 2490/4885GABRB2 2147/4885

“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.