SCHEMBL6679708

SCHEMBL6679708

CCCCCCc1cc2c(cc1Br)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.42
ALOX5 P09917 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LIPG Q9Y5X9 1/20 0.33
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 3/20 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
SCHEMBL6678267 0.98 RXRA (0.43) RXRAALOX5MEN1KMT2ATP53
SCHEMBL7138144 0.84 RXRA (0.42) RXRAALOX5MEN1KMT2ATP53
SCHEMBL6675774 0.83 RXRA (0.36) RXRAALOX5MEN1KMT2ATP53
SCHEMBL4666920 0.82 RXRA (0.39) RXRA
SCHEMBL7660747 0.81 RXRA (0.45) RXRAALOX5MEN1KMT2ATP53
SCHEMBL7145310 0.80 ALOX5 (0.34) ALOX5MEN1KMT2ATP53CYP3A4
SCHEMBL14376650 0.79 RXRA (0.46) RXRA
SCHEMBL2050571 0.78 ALOX5 (0.47) ALOX5MEN1KMT2ATP53CYP3A4
SCHEMBL21508896 0.78 ALOX5 (0.47) ALOX5MEN1KMT2ATP53CYP3A4
SCHEMBL351893 0.78 ALOX5 (0.47) ALOX5MEN1KMT2ATP53CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862554-B1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-1301505-A2 THIOPHENE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6403810-B2 RESPIRATORY SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2002-06-11 US disclosed
US-20020019438-A1 Thiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 US disclosed
WO-2002004439-A2 THIOPHENE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 WO disclosed
US-5958956-A SKIN DISORDERS; WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP disclosed
EP-0862554-A1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-09-09 EP disclosed
US-5726191-A TREATEMENT OF LIGHT AND AGE DAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed
US-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed
WO-1997018192-A1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1997-05-22 WO disclosed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP 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-20020019438-A1 Thiophene derivatives RARG, RARA, RARB RXRA 4/4885ALOX5 998/4885MEN1 4879/4885

“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.