SCHEMBL7138144

SCHEMBL7138144

CCCCCCc1cc2c(cc1CBr)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 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
HTR2A P28223 1/20 0.34
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
SCHEMBL7134767 0.87 RXRA (0.40) RXRAALOX5MEN1KMT2ATP53
SCHEMBL6679708 0.84 RXRA (0.42) RXRAALOX5MEN1KMT2ATP53
SCHEMBL7660747 0.84 RXRA (0.45) RXRAALOX5MEN1KMT2ATP53
SCHEMBL16731567 0.82 RXRA (0.40) RXRATP53
SCHEMBL6678267 0.82 RXRA (0.43) RXRAALOX5MEN1KMT2ATP53
SCHEMBL1029110 0.80 ALOX5 (0.46) ALOX5MEN1KMT2ATP53CYP3A4
SCHEMBL9786790 0.80 ALOX5 (0.46) ALOX5MEN1KMT2ATP53CYP3A4
SCHEMBL8213796 0.78 ALOX5 (0.42) ALOX5MEN1KMT2ATP53CYP3A4
SCHEMBL8905375 0.77 RXRA (0.40) RXRAALOX5MEN1KMT2ATP53
SCHEMBL8905381 0.77 RXRA (0.40) RXRAALOX5MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.