Sugi Predict

Sugi Predict / Compounds / SCHEMBL18705402

SCHEMBL18705402

SCHEMBL18705402

O=C(O)c1c2c(c3cc4cccc(C(=O)O)c4c(C(=O)O)c3c1C(=O)O)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.42
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ CDC25B P30305 3/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ PRNP P04156 1/20 0.34

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
SCHEMBL471844 0.86 HSD17B10 (0.49) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL1807581 0.76 HSD17B10 (0.55) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL31401742 0.76 HSD17B10 (0.55) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL9289632 0.76 HSD17B10 (0.47) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL11050089 0.75 NR4A1 (0.56) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL11217935 0.73 KDM4E (0.48) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL9174392 0.73 HSD17B10 (0.47) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL2270685 0.72 HSD17B10 (0.50) HSD17B10NR4A1NR4A2NR4A3CDC25B
SCHEMBL69796 0.72 ALDH1A1 (0.67) HSD17B10NR4A1NR4A2NR4A3CDC25B
Hydrochloric Acid SCHEMBL8854745 0.71 ALDH1A1 (0.65) HSD17B10NR4A1NR4A2NR4A3CDC25B

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
WO-2017060863-A1 ORTHO-SUBSTITUTED TRIPTYCENE-BASED DIAMINES, MONOMERS, AND POLYMERS, METHODS OF MAKING AND USES THEREOF KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-04-13 — — WO claimed
CN-108291028-B Ortho-substituted triptycene-based diamines, monomers and polymers, method for the production thereof and use thereof 阿卜杜拉国王科技大学 2020-09-11 — — CN disclosed
US-10619009-B2 Ortho-substituted triptycene-based diamines, monomers, and polymers, methods of making and uses thereof KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2020-04-14 — — US disclosed
WO-2017060863-A1 ORTHO-SUBSTITUTED TRIPTYCENE-BASED DIAMINES, MONOMERS, AND POLYMERS, METHODS OF MAKING AND USES THEREOF KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-04-13 — — 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-10619009-B2 Ortho-substituted triptycene-based diamines, monomers, and polymers, methods of making and uses thereof AOC1, PAM, ODC1 HSD17B10 4078/4885NR4A1 2025/4885NR4A2 2290/4885

“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.