SCHEMBL4709702

SCHEMBL4709702

CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(C=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
BRD4 O60885 1/20 0.33
RXRA P19793 5/20 0.32
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL4711568 0.87 MEN1 (0.35) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL14376644 0.80 RARA (0.41) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL4709265 0.80 BRD4 (0.37) HTTKMT2AMEN1TSHRALDH1A1
Palovarotene SCHEMBL4658931 0.79 RARB (0.57) HTTALDH1A1LMNASMN1; SMN2NPSR1
Palovarotene SCHEMBL4668028 0.79 RARB (0.57) HTTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL14159842 0.79 RARB (0.47) HTTKMT2AMEN1TSHRALDH1A1
Palovarotene SCHEMBL29354070 0.79 RARB (0.57) HTTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL4709673 0.78 MEN1 (0.39) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL14159856 0.78 RARA (0.46) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL5947942 0.77 RXRA (0.44) RXRARARARARBRARGRXRB

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 HTT 3508/4885KMT2A 3192/4885MEN1 3005/4885

“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.