SCHEMBL3171669

SCHEMBL3171669

CCCCCCCOC1CCCCC1OCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.49
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAAA Q02083 2/20 0.40
THRB P10828 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.38
RECQL P46063 2/20 0.38
TSHR P16473 2/20 0.38
CES2 O00748 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.38
BLM P54132 1/20 0.38
TNF P01375 1/20 0.37

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
SCHEMBL3172563 1.00 GBA1 (0.49) GBA1ALDH1A1TDP1NAAATHRB
SCHEMBL3181641 1.00 GBA1 (0.49) GBA1ALDH1A1TDP1NAAATHRB
SCHEMBL3182632 1.00 GBA1 (0.49) GBA1ALDH1A1TDP1NAAATHRB
SCHEMBL3181823 1.00 GBA1 (0.49) GBA1ALDH1A1TDP1NAAATHRB
SCHEMBL3186626 0.98 GBA1 (0.46) GBA1ALDH1A1TDP1NAAATHRB
SCHEMBL19678784 0.95 GBA1 (0.49) GBA1ALDH1A1TDP1NAAATHRB
SCHEMBL20678503 0.95 GBA1 (0.49) GBA1ALDH1A1TDP1NAAATHRB
SCHEMBL3179314 0.91 CYP1A2 (0.41) GBA1ALDH1A1TDP1NAAACYP1A2
SCHEMBL9295785 0.91 GBA1 (0.52) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL8970309 0.86 GBA1 (0.54) GBA1ALDH1A1TDP1NAAATHRB

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-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof WONKISOPHARM CO., LTD. (KR) 2010-01-28 US claimed
CN-106309421-B Pharmaceutical composition and cosmetic composition 沃凯索法株式会社 2020-08-25 CN disclosed
US-8420853-B2 Derivatives of cyclic compound and the use thereof Wonkisopharm Co., Ltd (KR) 2013-04-16 US disclosed
US-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof WONKISOPHARM CO., LTD. (KR) 2010-01-28 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-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof TYR, MC1R, PDE7A GBA1 2833/4885ALDH1A1 2889/4885TDP1 669/4885

“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.