SCHEMBL18392677

SCHEMBL18392677

CC(=O)OCC1OC(C)C(N)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TACR2 P21452 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ NT5E P21589 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL18392660 0.91 TACR2 (0.41) TSHRALDH1A1LMNATACR2SSTR1
SCHEMBL20281028 0.89 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL27300740 0.89 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL24378390 0.89 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL12308089 0.89 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL18393003 0.86 TACR2 (0.39) KMT2ATACR2SSTR1SSTR2SSTR4
SCHEMBL24086073 0.86 LMNA (0.55) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL19976470 0.86 TSHR (0.59) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL18607192 0.85 NT5E (0.46) TSHRLMNAKMT2ACYP2D6TACR2
SCHEMBL24378581 0.84 GJB2 (0.50) TACR2SSTR1SSTR2SSTR4SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023603-B2 Preparation of monosaccharides, disaccharides, trisaccharides, and pentasaccharides of heparinoids FORMOSA LABORATORIES, INC. (TW) 2018-07-17 — — US disclosed
US-20170015695-A1 PREPARATION OF MONOSACCHARIDES, DISACCHARIDES, TRISACCHARIDES, AND PENTASACCHARIDES OF HEPARINOIDS FORMOSA LABORATORIES, INC. (TW) 2017-01-19 — — 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-10023603-B2 Preparation of monosaccharides, disaccharides, trisaccharides, and pentasaccharides of heparinoids HPSE, DDOST, FUT5 TSHR 1484/4885ALDH1A1 3929/4885LMNA 3320/4885
US-20170015695-A1 PREPARATION OF MONOSACCHARIDES, DISACCHARIDES, TRISACCHARIDES, AND PENTASACCHARIDES OF HEPARINOIDS HPSE, DDOST, FUT5 TSHR 1484/4885ALDH1A1 3929/4885LMNA 3320/4885

“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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