SCHEMBL1667124

SCHEMBL1667124

CCCCCCOc1ccc(CCC=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
S1PR1 P21453 6/20 0.51
S1PR3 Q99500 5/20 0.51
S1PR4 O95977 3/20 0.51
S1PR5 Q9H228 2/20 0.51
PLA2G4B P0C869 2/20 0.50
S1PR2 O95136 2/20 0.49

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
SCHEMBL9265046 1.00 NR5A1 (0.53) NR5A1MEN1USP2ALDH1A1LMNA
SCHEMBL7276099 1.00 NR5A1 (0.53) NR5A1MEN1USP2ALDH1A1LMNA
SCHEMBL11319340 1.00 NR5A1 (0.53) NR5A1MEN1USP2ALDH1A1LMNA
SCHEMBL11307472 1.00 NR5A1 (0.53) NR5A1MEN1USP2ALDH1A1LMNA
SCHEMBL8815462 1.00 NR5A1 (0.53) NR5A1MEN1USP2ALDH1A1LMNA
SCHEMBL11315075 0.98 ALDH1A1 (0.50) NR5A1MEN1USP2ALDH1A1LMNA
SCHEMBL5492651 0.95 RARB (0.55) NR5A1MEN1USP2ALDH1A1LMNA
SCHEMBL3188400 0.95 LMNA (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL1669767 0.92 MEN1 (0.55) NR5A1MEN1USP2ALDH1A1LMNA
SCHEMBL1667016 0.91 MEN1 (0.57) NR5A1MEN1USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4297277-A FUNGICIDES ANTISEPTICS ELI LILLY AND COMPANY (US) 1981-10-27 US claimed
US-4293486-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 US claimed
US-4293484-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 US claimed
US-4293489-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 US claimed
US-4289692-A CYCLIC PEPTIDE ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-09-15 US claimed
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 US disclosed
EP-3431084-A1 ANTIINFLAMMATORY 2-OXOTHIAZOLES Avexxin AS (NO) 2019-01-23 EP disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
EP-2482815-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES Avexxin AS (NO) 2012-08-08 EP disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 WO disclosed
US-4297277-A FUNGICIDES ANTISEPTICS ELI LILLY AND COMPANY (US) 1981-10-27 US disclosed
US-4293486-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4293484-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4289692-A CYCLIC PEPTIDE ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0031220-A1 Derivatives of cyclic peptide nuclei ELI LILLY AND COMPANY (US) 1981-07-01 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 (3 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-20110136879-A1 COMPOUND CBR1, CBR3, CCR1 NR5A1 123/4885MEN1 2321/4885USP2 4093/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 NR5A1 124/4885MEN1 2314/4885USP2 4090/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 NR5A1 199/4885MEN1 3221/4885USP2 3064/4885

“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.