SCHEMBL4713010

SCHEMBL4713010

COC(=O)c1ccc(C=Cc2cc3c(cc2Cn2cccn2)C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTPN1 P18031 1/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VDR P11473 4/20 0.33
MAPT P10636 4/20 0.33
DRD2 P14416 1/20 0.33
TSHR P16473 1/20 0.33
KLKB1 P03952 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
NPSR1 Q6W5P4 3/20 0.32

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
SCHEMBL4713008 1.00 HDAC1 (0.35) HDAC1HDAC6PTPN1KMT2AMEN1
SCHEMBL4666954 0.85 RARA (0.44) HDAC1HDAC6PTPN1KMT2AMEN1
SCHEMBL4760481 0.82 PTPN1 (0.41) PTPN1KMT2AMEN1ALDH1A1NPC1
SCHEMBL4760479 0.82 PTPN1 (0.41) PTPN1KMT2AMEN1ALDH1A1NPC1
SCHEMBL4709684 0.82 RARA (0.34) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL4710253 0.80 HTT (0.42) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL4709343 0.80 HTT (0.42) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL4709341 0.80 HTT (0.42) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL4710256 0.80 HTT (0.42) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL4759946 0.78 RARB (0.49) PTPN1KMT2AMEN1ALDH1A1NPC1

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
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
US-6777418-B2 FOR TREATING OR PREVENTING EMPHYSEMA, CANCER AND DERMATOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-08-17 US disclosed
EP-1324970-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC 2002-06-27 US disclosed
WO-2002028810-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2002-04-11 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-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders RXRA, RXRG, RXRB HDAC1 1159/4885HDAC6 905/4885PTPN1 4749/4885

“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.