SCHEMBL7201532

SCHEMBL7201532

CCCCCOC1(Br)C=CC(c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
LTA4H P09960 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR5A1 Q13285 2/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
NR5A2 O00482 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
SCHEMBL10595485 0.99 PPARG (0.39) PPARGLTA4HMEN1KMT2ATDP1
SCHEMBL10598615 0.99 PPARG (0.39) PPARGLTA4HMEN1KMT2ATDP1
SCHEMBL8341788 0.93 PPARG (0.36) PPARGLTA4HMEN1KMT2ATDP1
SCHEMBL10599695 0.89 KDM1A (0.32) MEN1KMT2ALMNA
SCHEMBL10597221 0.83 TSHR (0.32) MEN1KMT2ACYP2C19TSHRALDH1A1
SCHEMBL21224652 0.81 PPARG (0.42) PPARGLTA4HMEN1KMT2ATDP1
SCHEMBL10449056 0.81 PPARG (0.42) PPARGLTA4HMEN1KMT2ATDP1
SCHEMBL3480933 0.79 PPARG (0.35) PPARGLTA4HMEN1KMT2ATDP1
SCHEMBL14742689 0.78 PPARG (0.40) PPARGLTA4HMEN1KMT2ATDP1
SCHEMBL5309648 0.78 PPARG (0.37) PPARGLTA4HMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030054981-A1 Echinocandin pharmaceutical formulations containing micelle-forming surfactants ELI LILLY AND COMPANY 2003-03-20 US disclosed
WO-2001060395-A2 METHODS OF TREATMENT FOR NON-INVASIVE FUNGUS-INDUCED MUCOSITIS WITH CYCLOHEXAPEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 2001-08-23 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-20030054981-A1 Echinocandin pharmaceutical formulations containing micelle-forming surfactants TREH, MPDU1, MAN1B1 PPARG 3174/4885LTA4H 2207/4885MEN1 117/4885

“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.