SCHEMBL18136409

SCHEMBL18136409

CC(=O)OC[C@H]1O[C@@H](Oc2cc3ccccc3cc2O)[C@@H](OC(C)=O)C1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.53
PDIA4 P13667 1/20 0.53
PDIA3 P30101 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48
HSD17B10 Q99714 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL16710235 1.00 P4HB (0.53) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL20035072 1.00 P4HB (0.53) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL20035071 1.00 P4HB (0.53) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL16710218 0.99 TSHR (0.55) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL20633948 0.99 TSHR (0.55) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL18134222 0.93 TSHR (0.47) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL18134221 0.91 P4HB (0.47) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL16710232 0.89 LMNA (0.63) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL20035054 0.88 P4HB (0.48) P4HBPDIA4PDIA3TSHRLMNA
SCHEMBL18136387 0.88 P4HB (0.48) P4HBPDIA4PDIA3TSHRLMNA

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-9938562-B2 Naphthalene derived chromogenic enzyme substrates GLYCOSYNTH LIMITED (GB) 2018-04-10 US disclosed
EP-3066209-B1 NAPHTHALENE DERIVED CHROMOGENIC ENZYME SUBSTRATES GLYCOSYNTH LTD (GB) 2017-12-06 EP disclosed
US-20160298167-A1 NAPHTHALENE DERIVED CHROMOGENIC ENZYME SUBSTRATES GLYCOSYNTH LIMITED (GB) 2016-10-13 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-20160298167-A1 NAPHTHALENE DERIVED CHROMOGENIC ENZYME SUBSTRATES CYP2R1, TDO2, XDH P4HB 537/4885PDIA4 2590/4885PDIA3 2570/4885

“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.