SCHEMBL14660228

SCHEMBL14660228

CC1CCCC(COC(=O)c2cccc(C(=O)O)c2CC2CCCC(C)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 10/20 0.42
▸ CHRNA3 P32297 10/20 0.42
▸ CHRNB2 P17787 10/20 0.42
▸ CHRNA4 P43681 10/20 0.42
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ CHRNA5 P30532 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34

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
SCHEMBL28174259 0.76 BRS3 (0.41) KDM4EALDH1A1KMT2A
SCHEMBL14668260 0.76 JMJD6 (0.48) CHRNB2CHRNA4KDM4EALDH1A1MEN1
SCHEMBL14660197 0.73 GRIK1 (0.33) KDM4EALDH1A1MEN1KMT2A
SCHEMBL27483637 0.72 CHRNB2 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL27875069 0.72 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL2750343 0.71 KMT2A (0.46) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL19020351 0.70 MGLL (0.51) ALDH1A1MEN1MAPTKMT2A
SCHEMBL28165784 0.70 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL8766693 0.69 DHFR (0.49) —
SCHEMBL29563076 0.68 ALDH1A1 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1

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
WO-2013019442-A1 PROCESS FOR THE PREPARATION OF 1,3-CYCLOHEXANEDIMETHANOL FROM ISOPHTHALIC ACID EASTMAN CHEMICAL COMPANY (US) 2013-02-07 — — WO claimed
US-8877984-B2 Process for the preparation of 1,3-cyclohexanedimethanol from isophthalic acid EASTMAN CHEMICAL COMPANY (US) 2014-11-04 — — US disclosed
WO-2013019442-A1 PROCESS FOR THE PREPARATION OF 1,3-CYCLOHEXANEDIMETHANOL FROM ISOPHTHALIC ACID EASTMAN CHEMICAL COMPANY (US) 2013-02-07 — — WO disclosed
US-20130030222-A1 PROCESS FOR THE PREPARATION OF 1,3-CYCLOHEXANEDIMETHANOL FROM ISOPHTHALIC ACID EASTMAN CHEMICAL COMPANY (US) 2013-01-31 — — 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-20130030222-A1 PROCESS FOR THE PREPARATION OF 1,3-CYCLOHEXANEDIMETHANOL FROM ISOPHTHALIC ACID HPD, CYP8B1, DHCR24 CHRNB4 1135/4885CHRNA3 934/4885CHRNB2 892/4885

“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.

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