SCHEMBL8707677

SCHEMBL8707677

CCCCCCC(CCCCCCCCCCC(=O)O)NCC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ HPGD P15428 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ SLC16A3 O15427 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ SLC16A1 P53985 1/20 0.55
▸ MEN1 O00255 8/20 0.53
▸ MAPT P10636 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ MAOB P27338 4/20 0.53
▸ ATM Q13315 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CASP1 P29466 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
SCHEMBL30158125 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL7167329 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL411971 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL12651748 0.76 MEN1 (0.74) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL17368890 0.76 MAOB (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL16573482 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL8562232 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL8566633 0.74 LMNA (0.44) LMNASRC
SCHEMBL25443888 0.74 MEN1 (0.78) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL21615668 0.74 KMT2A (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230220019-A1 CHEMICALLY-STABILIZED ALLOSTERIC MODULATORS OF LEUCINERICH REPEAT KINASE 2 (LRRK2) UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2023-07-13 — — US disclosed
EP-3773752-A1 STABILIZED NANOBUBBLES AND MICROBUBBLES FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS Case Western Reserve University (US) 2021-02-17 — — EP disclosed
WO-2019191557-A1 STABILIZED NANOBUBBLES AND MICROBUBBLES FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS CASE WESTER RESERVE UNIVERSITY (US) 2019-10-03 — — WO disclosed
WO-2012142362-A2 SYNTHETIC PLATELETS CASE WESTERN RESERVE UNIVERSITY (US) 2012-10-18 — — WO disclosed
US-5830430-A Cationic lipids and the use thereof IMARX PHARMACEUTICAL CORP. (US) 1998-11-03 — — 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-20230220019-A1 CHEMICALLY-STABILIZED ALLOSTERIC MODULATORS OF LEUCINERICH REPEAT KINASE 2 (LRRK2) LRRK2, TLK2, LMTK2 ALDH1A1 4754/4885KDM4E 2167/4885HPGD 4520/4885

“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.

Send feedback