SCHEMBL29588474

SCHEMBL29588474

COC(=O)c1cc2c(cc1F)CCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.45
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
MAP2K1 Q02750 1/20 0.39
KAT6A Q92794 1/20 0.39
PARP1 P09874 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL24469644 1.00 KDM4E (0.51) KDM4EALDH1A1PKMMTNR1AMTNR1B
SCHEMBL25166570 0.94 ALDH1A1 (0.48) KDM4EALDH1A1PKMMTNR1AMTNR1B
SCHEMBL31108055 0.94 ALDH1A1 (0.48) KDM4EALDH1A1PKMMTNR1AMTNR1B
SCHEMBL30788044 0.82 ALDH1A1 (0.72) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL24824152 0.82 ALDH1A1 (0.72) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL24823394 0.79 ALDH1A1 (0.72) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL30310929 0.79 ALDH1A1 (0.72) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL522786 0.78 CA12 (0.47) KDM4EALDH1A1MAPTPOLBTDP1
SCHEMBL4681683 0.76 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL883735 0.76 RAB9A (0.42) KDM4EALDH1A1PKMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-01-11 US disclosed
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 EP disclosed
WO-2022111498-A1 PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-06-02 WO disclosed
WO-2022105852-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-05-27 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-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE MYLK2, TNNT2, TNNC1 KDM4E 3289/4885ALDH1A1 1551/4885PKM 789/4885

“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.