SCHEMBL23524242

SCHEMBL23524242

CCC1(CC)CC(=O)c2cc(-c3ncc(-c4cccnc4)cn3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP7 P55210 1/20 0.39
▸ CYP11B1 P15538 9/20 0.38
▸ CYP11B2 P19099 9/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TDP2 O95551 2/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ BACE1 P56817 2/20 0.36

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
SCHEMBL30355383 1.00 KDM4E (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23524277 0.88 EPHX2 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30355551 0.88 EPHX2 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30355722 0.85 NPC1 (0.49) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL23524239 0.85 NPC1 (0.49) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL23524270 0.83 KDM4E (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30355523 0.83 CNR2 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23523754 0.83 CNR2 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30355355 0.83 KDM4E (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23524038 0.83 CYP19A1 (0.48) KDM4EALDH1A1GLAGAAHPGD

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (4 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 KDM4E 2644/4885ALDH1A1 2583/4885GLA 3116/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 1123/4885ALDH1A1 1143/4885GLA 2051/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KDM4E 2644/4885ALDH1A1 2583/4885GLA 3116/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 2644/4885ALDH1A1 2583/4885GLA 3116/4885

“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.

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