SCHEMBL4711216

SCHEMBL4711216

CC1(C)CC(=O)C(C)(C)c2cc(C=O)c(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.38
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.31
POLB P06746 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
SCHEMBL4666464 0.80 PRKDC (0.44) PRKDCLMNAALDH1A1MAPTHPGD
SCHEMBL13717001 0.79 BCHE (0.38) ALDH1A1HPGDL3MBTL1RXRAPOLB
SCHEMBL6449285 0.79 BCHE (0.38) ALDH1A1HPGDL3MBTL1RXRAPOLB
SCHEMBL16905456 0.73 PRKDC (0.44) PRKDCLMNAALDH1A1MAPTHPGD
SCHEMBL9625878 0.71 RARB (0.37) LMNAALDH1A1SMN1; SMN2RXRAPOLB
SCHEMBL15614973 0.71 PRKDC (0.46) PRKDCLMNAALDH1A1MAPTHPGD
SCHEMBL4712549 0.71 NPC1 (0.32)
SCHEMBL9860146 0.70 CMA1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL15614967 0.70 PRKDC (0.42) PRKDCLMNAALDH1A1MAPTHPGD
SCHEMBL9860639 0.70 CMA1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2

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-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 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 PRKDC 3425/4885LMNA 761/4885ALDH1A1 1763/4885

“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.