SCHEMBL3003283

SCHEMBL3003283

COc1ccc(C(OC(Cc2ccccc2)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccccc5)nc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.41
POLA1 P09884 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
HINT1 P49773 1/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL3017127 0.90 KDM4E (0.39) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL2113415 0.84 TAS1R3 (0.40) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL16401712 0.82 TYMP (0.55) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL16401149 0.81 TYMP (0.45) TYMPTAS1R3TAS1R1POLBTAAR1
SCHEMBL9790905 0.80 ALDH1A1 (0.44) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL9238078 0.80 TYMP (0.58) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL9017501 0.79 TYMP (0.58) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL7534659 0.78 KDM4E (0.49) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL2113125 0.78 KDM4E (0.49) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL9567426 0.78 DUT (0.46) TYMPPOLA1TAS1R3TAS1R1KDM4E

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-8188055-B2 Inactivators of O6-alkylguanine-DNA alkyltransferase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-05-29 US disclosed
US-20100204172-A1 INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-08-12 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-20100204172-A1 INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AGT, UNG, DPYD TYMP 11/4885POLA1 108/4885TAS1R3 4358/4885

“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.