SCHEMBL6425601

SCHEMBL6425601

CCCCC(C(=O)O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
ELANE P08246 2/20 0.34
CTRC Q99895 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL6426827 1.00 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL6425602 0.97 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL6423399 0.95 MEN1 (0.36) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL6425499 0.95 MEN1 (0.36) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL6425670 0.92 LMNA (0.36) ALDH1A1ELANECTRCLMNA
SCHEMBL6423335 0.92 LMNA (0.36) ALDH1A1ELANECTRCLMNA
SCHEMBL6423695 0.91 MEN1 (0.39) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL6427423 0.91 MEN1 (0.39) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL6428421 0.90 AKR1C3 (0.33) MEN1KMT2AELANECTRC
SCHEMBL6424844 0.90 AKR1C3 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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 (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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 ALDH1A1 630/4885HPGD 15/4885MEN1 3824/4885

“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.