SCHEMBL25857016

SCHEMBL25857016

Cc1cc(-c2nnc(-c3ccc4c(c3)C=CC4)o2)ccc1CCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TERT O14746 1/20 0.31
HPGD P15428 2/20 0.30
POLB P06746 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL25857014 0.85 SPHK2 (0.39) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL25857011 0.83 MAPK14 (0.33) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL25857018 0.71 QPCT (0.42)
SCHEMBL25864815 0.70 SNCA (0.39)
SCHEMBL23558371 0.67 TYR (0.45)
SCHEMBL25864792 0.66 SNCA (0.39) S1PR1KDM4EALDH1A1NPC1RAB9A
SCHEMBL25856806 0.65 SNCA (0.31) MAPTNPC1RAB9A
SCHEMBL25864791 0.65 SNCA (0.40) S1PR1KDM4EALDH1A1NPC1RAB9A
SCHEMBL23558192 0.64 TYR (0.33)
SCHEMBL9629684 0.63 CA1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885KDM4E 2644/4885ALDH1A1 2583/4885

“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.