SCHEMBL4666464

SCHEMBL4666464

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.44
RXRA P19793 9/20 0.43
LMNA P02545 2/20 0.41
RARB P10826 7/20 0.40
RARG P13631 7/20 0.40
RARA P10276 5/20 0.40
CYP26A1 O43174 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXRB P28702 4/20 0.34
RXRG P48443 3/20 0.34
POLB P06746 1/20 0.34
ERN1 O75460 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33

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
SCHEMBL11122818 0.86 RARB (0.41) RXRALMNARARBRARGRARA
SCHEMBL16905456 0.85 PRKDC (0.44) PRKDCRXRALMNAALDH1A1MAPT
SCHEMBL15614967 0.81 PRKDC (0.42) PRKDCLMNAALDH1A1MAPTHPGD
SCHEMBL4711216 0.80 PRKDC (0.38) PRKDCRXRALMNAALDH1A1MAPT
SCHEMBL6678059 0.79 RXRA (0.49) RXRARARBRARGRARACYP26A1
SCHEMBL4668099 0.79 RXRA (0.37) RXRARARBRARGRARACYP26A1
SCHEMBL15614973 0.78 PRKDC (0.46) PRKDCLMNAALDH1A1MAPTHPGD
SCHEMBL4666462 0.78 RARG (0.51) RXRARARBRARGRARACYP26A1
SCHEMBL15614957 0.77 PRKDC (0.44) PRKDCLMNAALDH1A1MAPTHPGD
SCHEMBL7223563 0.77 RXRA (0.43) RXRALMNARARBRARGRARA

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
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 US disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
WO-2015117718-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-08-13 WO disclosed
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
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
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 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
US-5498755-A IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS ALLERGAN, INC. 1996-03-12 US disclosed
WO-1996006070-A1 DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-02-29 WO disclosed
US-5475113-A Treatment of skin disorders, skin cancer ALLERGAN, INC. (US) 1995-12-12 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US 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 (3 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC PRKDC 2020/4885RXRA 3429/4885LMNA 3645/4885
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders RXRA, RXRG, RXRB PRKDC 3425/4885RXRA 1/4885LMNA 761/4885
US-20170170413-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 PRKDC 3860/4885RXRA 3738/4885LMNA 4436/4885

“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.