SCHEMBL23760102

SCHEMBL23760102

O=C(CF)OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
HCAR2 Q8TDS4 1/20 0.54
APP P05067 1/20 0.54
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
AKR1B10 O60218 2/20 0.51
AKR1B1 P15121 2/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL22832718 0.84 TDP1 (0.81) TDP1HCAR2APPESR1ESR2
SCHEMBL451184 0.84 TDP1 (0.68) TDP1HCAR2APPESR1ESR2
SCHEMBL6025448 0.82 TDP1 (0.66) TDP1HCAR2APPESR1ESR2
SCHEMBL245747 0.82 ALDH1A1 (0.66) TDP1HCAR2APPESR1ESR2
SCHEMBL8890081 0.82 TDP1 (0.66) TDP1HCAR2APPESR1ESR2
SCHEMBL9367557 0.82 TDP1 (0.92) TDP1HCAR2APPESR1ESR2
SCHEMBL27665939 0.81 TSHR (0.44) TDP1APPL3MBTL1ALDH1A1TSHR
SCHEMBL2425935 0.81 TDP1 (0.63) TDP1HCAR2APPESR1ESR2
SCHEMBL8392712 0.81 TDP1 (0.63) TDP1HCAR2APPESR1ESR2
SCHEMBL1960554 0.81 TDP1 (0.63) TDP1HCAR2APPESR1ESR2

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-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
WO-2021163467-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-19 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 (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-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF BCAT2, BCAT1, AARS1 TDP1 582/4885HCAR2 1489/4885APP 27/4885

“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.