SCHEMBL5324787

SCHEMBL5324787

CCc1cc(O)ccc1CC(N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
NFKB1 P19838 2/20 0.55
BLM P54132 2/20 0.55
PMP22 Q01453 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
HTR2A P28223 2/20 0.55
HTR1A P08908 1/20 0.55
TSHR P16473 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55

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
SCHEMBL677540 1.00 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL1260983 1.00 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL10935726 0.89 KDM4E (0.51) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL10935721 0.89 KDM4E (0.51) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL7087714 0.86 SLC7A5 (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5565921 0.85 KDM4E (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL9848007 0.85 KDM4E (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL30772395 0.85 KDM4E (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL4551609 0.85 CYP3A4 (0.51) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL38096 0.83 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026162-A Cystine knot scaffold platform 豪夫迈·罗氏有限公司 2018-05-11 CN claimed
US-4772586-A ANTAGONISTS OF ANTIDIURETIC AND VASOPRESSOR ACTIVITY OF HORMONE MEDICAL COLLEGE OF OHIO (US) 1988-09-20 US claimed
EP-0061356-B1 ANTAGONISTS OF THE ANTIDIURETIC AND/OR VASOPRESSOR ACTION OF ARGININE VASOPRESSIN Medical College of Ohio (US) 1985-07-17 EP claimed
US-4367225-A Novel antagonists of the antidiuretic and/or vasopressor action of arginine vasopressin THE MEDICAL COLLEGE OF OHIO (US) 1983-01-04 US claimed
CN-108026162-A Cystine knot scaffold platform 豪夫迈·罗氏有限公司 2018-05-11 CN disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO disclosed
US-4772586-A ANTAGONISTS OF ANTIDIURETIC AND VASOPRESSOR ACTIVITY OF HORMONE MEDICAL COLLEGE OF OHIO (US) 1988-09-20 US disclosed
EP-0273645-A2 Novel derivatives of arginine vasopressin antagonists THE MEDICAL COLLEGE OF OHIO (US) 1988-07-06 EP disclosed
US-4714696-A Novel derivatives of arginine vasopressin antagonists MEDICAL COLLEGE OF OHIO (US) 1987-12-22 US disclosed
US-4649130-A Novel derivatives of arginine vasopressin antagonists MEDICAL COLLEGE OF OHIO (US) 1987-03-10 US disclosed
EP-0189326-A2 Derivatives of arginine vasopressin antagonists Medical College of Ohio (US) 1986-07-30 EP disclosed
EP-0151016-A2 Arginine vasopressin antagonists Medical College of Ohio (US) 1985-08-07 EP disclosed
EP-0061356-B1 ANTAGONISTS OF THE ANTIDIURETIC AND/OR VASOPRESSOR ACTION OF ARGININE VASOPRESSIN Medical College of Ohio (US) 1985-07-17 EP disclosed
US-4367225-A Novel antagonists of the antidiuretic and/or vasopressor action of arginine vasopressin THE MEDICAL COLLEGE OF OHIO (US) 1983-01-04 US disclosed
EP-0061356-A2 Antagonists of the antidiuretic and/or vasopressor action of arginine vasopressin Medical College of Ohio (US) 1982-09-29 EP 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 KDM4E 2053/4885ALOX15 4182/4885HSD17B10 4778/4885

“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.