SCHEMBL6400336

SCHEMBL6400336

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nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL6234988 0.91 LMNA (0.36) LMNATSHRALDH1A1MAPTKDM4E
SCHEMBL6928053 0.91 LMNA (0.36) LMNATSHRALDH1A1MAPTKDM4E
SCHEMBL10087479 0.82 TSHR (0.33) TSHR
SCHEMBL8155173 0.80 TSHR (0.33) LMNATSHRALDH1A1MAPTKDM4E
SCHEMBL29980213 0.79 MGAM (0.38) TSHRALDH1A1
SCHEMBL711473 0.78 CYP2D6 (0.42)
SCHEMBL29133363 0.78 ALDH1A1 (0.39) LMNATSHRALDH1A1MAPTKDM4E
SCHEMBL1260190 0.78 CYP2D6 (0.42)
SCHEMBL4909003 0.78 CYP2D6 (0.42)
SCHEMBL6400340 0.77 ALDH1A1 (0.35) LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124790-B2 Preparation process useful in synthesis of atorvastatin MEDICHEM KOREA CO., LTD. (KR) 2012-02-28 US disclosed
US-8124790-B2 Preparation process useful in synthesis of atorvastatin MEDICHEM KOREA CO., LTD. (KR) 2012-02-28 US disclosed
US-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO., LTD. (KR) 2011-05-12 US disclosed
US-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO., LTD. (KR) 2011-05-12 US disclosed
US-6962994-B2 Process for the synthesis of 1,3-diols WARNER-LAMBERT COMPANY, LLC (US) 2005-11-08 US disclosed
US-20040006231-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT LEE (US) 2004-01-08 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 (2 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-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN HMGCR, DHCR7, LIPA LMNA 1146/4885TSHR 3029/4885ALDH1A1 3842/4885
US-20040006231-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK LMNA 2782/4885TSHR 2963/4885ALDH1A1 307/4885

“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.