SCHEMBL7145310

SCHEMBL7145310

CCCCCc1cc2c(cc1Br)C(C)(C)C=CC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.34
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TYR P14679 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
LIPG Q9Y5X9 1/20 0.32
PTGS2 P35354 6/20 0.32
TRPA1 O75762 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.32

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 0.81 RXRA (0.43) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL6679708 0.80 RXRA (0.42) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL31108181 0.77 ALOX5 (0.42) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL21508896 0.77 ALOX5 (0.47) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL351893 0.77 ALOX5 (0.47) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL3842135 0.77 ALOX5 (0.47) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL2050571 0.77 ALOX5 (0.47) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL4225017 0.77 ALOX5 (0.47) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL1685341 0.77 ALOX5 (0.47) ALOX5CYP3A4TDP1TYRMEN1
SCHEMBL16682951 0.72 TYR (0.43) ALOX5CYP3A4TDP1TYRMEN1

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 ALOX5 998/4885CYP3A4 877/4885TDP1 1891/4885

“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.