SCHEMBL4668400

SCHEMBL4668400

CC1(C)CCC(C)(C)c2cc(CCC#N)c(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
CYP26A1 O43174 1/20 0.30

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
SCHEMBL4669400 0.83 RXRA (0.37) RXRARARARARBRARGRXRB
SCHEMBL14376650 0.75 RXRA (0.46) RXRARARARARBRARGRXRB
SCHEMBL3550442 0.75 RXRA (0.41) RXRARARARARBRARGRXRB
SCHEMBL4666920 0.75 RXRA (0.39) RXRARARARARBRARGRXRB
SCHEMBL6678267 0.75 RXRA (0.43) RXRAMEN1KMT2ARARARARB
SCHEMBL6678059 0.72 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL15701378 0.72 HTT (0.37) MEN1KMT2A
SCHEMBL333776 0.68 HTR2A (0.46) KMT2A
SCHEMBL6987564 0.68 CYP3A4 (0.41) MEN1KMT2A
SCHEMBL20696466 0.67 RXRA (0.42) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324970-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
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 RXRA 1/4885MEN1 3005/4885KMT2A 3192/4885

“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.