SCHEMBL8324876

SCHEMBL8324876

NC1CCC(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.67
EPHX1 P07099 1/20 0.56
TLR4 O00206 1/20 0.56
DPP4 P27487 6/20 0.55
DPP7 Q9UHL4 6/20 0.55
KCNH2 Q12809 3/20 0.55
CPB1 P15086 2/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
KDM1A O60341 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL21198114 1.00 TSHR (0.67) TSHRALDH1A1GAAEPHX1TLR4
SCHEMBL14981586 1.00 TSHR (0.67) TSHRALDH1A1GAAEPHX1TLR4
Hydrochloric Acid SCHEMBL16430999 0.99 TSHR (0.66) TSHRALDH1A1GAAEPHX1TLR4
SCHEMBL2124491 0.92 TSHR (0.61) TSHRALDH1A1GAAEPHX1TLR4
SCHEMBL16523975 0.92 TSHR (0.61) TSHRALDH1A1GAAEPHX1TLR4
SCHEMBL16070788 0.92 TSHR (0.61) TSHRALDH1A1GAAEPHX1TLR4
SCHEMBL2124493 0.92 TSHR (0.61) TSHRALDH1A1GAAEPHX1TLR4
SCHEMBL6371177 0.92 TSHR (0.61) TSHRALDH1A1GAAEPHX1TLR4
SCHEMBL1192792 0.92 TSHR (0.75) TSHRALDH1A1GAAEPHX1TLR4
SCHEMBL880579 0.92 TSHR (0.75) TSHRALDH1A1GAAEPHX1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
EP-3743421-B1 COMPOUNDS UNIV OXFORD INNOVATION LTD (GB) 2023-03-29 EP disclosed
US-20210009576-A1 COMPOUNDS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-01-14 US disclosed
EP-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 EP disclosed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO disclosed
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 WO 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-20210009576-A1 COMPOUNDS KRAS, NRAS, HRAS TSHR 4071/4885ALDH1A1 3190/4885GAA 1808/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS TSHR 4071/4885ALDH1A1 3190/4885GAA 1808/4885

“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.