SCHEMBL15895136

SCHEMBL15895136

CCCCO[C@@H]([C@H](OCCCC)[C@@H](CO)OCCCC)[C@@H](CC)OCCCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
MGAM O43451 3/20 0.35
USP2 O75604 1/20 0.32
DNM1 Q05193 1/20 0.31
LMNA P02545 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL15895045 0.94 TSHR (0.39) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL14413619 0.90 TSHR (0.39) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL18611903 0.86 LPAR6 (0.36) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL16358125 0.86 USP2 (0.39) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL17792592 0.83 TSHR (0.44) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL16638481 0.81 USP2 (0.46) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL17176225 0.80 MGAM (0.32) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL6229989 0.79 TSHR (0.41) TSHRALDH1A1CNR2CNR1MGAM
SCHEMBL15721387 0.79 USP2 (0.45) TSHRMGAMUSP2
SCHEMBL17145896 0.79 USP2 (0.45) TSHRMGAMUSP2

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-8907079-B2 Crosslinking reagents, macromolecules, therapeutic conjugates, and synthetic methods thereof CELLMOSAIC INC. (US) 2014-12-09 US disclosed
US-20140206903-A1 NOVELCROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC CONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2014-07-24 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-20140206903-A1 NOVELCROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC CONJUGATES, AND SYNTHETIC METHODS THEREOF CD44, ADH1C, EPCAM TSHR 999/4885ALDH1A1 106/4885CNR2 3377/4885

“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.