SCHEMBL3179529

SCHEMBL3179529

CCCC(CC)COC1CCCCC1OCC(CC)CCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SHBG P04278 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3171704 0.89 ALDH1A1 (0.47) KDM4EALDH1A1CYP3A4L3MBTL1CA2
SCHEMBL3188361 0.87 KDM4E (0.39) KDM4ESHBG
SCHEMBL28444231 0.82 SHBG (0.34) KDM4EALDH1A1CYP3A4L3MBTL1SHBG
SCHEMBL3179737 0.78 TSHR (0.34) KDM4ETSHR
SCHEMBL27759673 0.74 CA2 (0.44) ALDH1A1CYP3A4L3MBTL1CA1CA2
SCHEMBL3194979 0.72 KDM4E (0.38) KDM4ESHBG
SCHEMBL19892102 0.71 CYP1A2 (0.41) ALDH1A1SHBG
SCHEMBL3185516 0.69 CTSV (0.40) KDM4EALDH1A1
SCHEMBL27960869 0.68 SHBG (0.39) KDM4EALDH1A1SHBGTDP1
SCHEMBL10597507 0.68 CYP3A4 (0.48) ALDH1A1CYP3A4L3MBTL1CA12CA1

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-20100022461-A1 Novel Derivatives of Cyclic Compound And The Use Thereof WONKISOPHARM CO., LTD. (KR) 2010-01-28 US claimed
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 KDM4E 1668/4885ALDH1A1 2889/4885CYP3A4 1739/4885

“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.