SCHEMBL2442541

SCHEMBL2442541

CC(C)(C)OC(=O)COc1ccc(CCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
PTPN1 P18031 3/20 0.50
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PSMB5 P28074 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL12696322 0.88 PTPN1 (0.50) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL31404376 0.87 PPARA (0.47) PPARAPTPN1CYP4F2CYP4A11MEN1
SCHEMBL3203038 0.87 PTPN1 (0.52) PPARAPTPN1PSEN1PSEN2APH1B
SCHEMBL9325892 0.86 PTPN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL198467 0.85 PTPN1 (0.60) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL5702452 0.85 PSEN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL1586865 0.85 LMNA (0.57) PTPN1SMN1; SMN2POLBGAACYP2C19
SCHEMBL18761383 0.85 PPARA (0.50) PPARACYP4F2CYP4A11ALDH1A1
SCHEMBL8752337 0.84 CYP1A2 (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL28484223 0.84 HDAC8 (0.48) PTPN1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731611-A1 TARGETED DEGRADERS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-04-29 EP disclosed
WO-2024263781-A1 TARGETED DEGRADERS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-12-26 WO disclosed
EP-1657235-B1 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates RANDOX LAB LTD (GB) 2011-09-21 EP disclosed
US-7192722-B2 Phenethanolamine-derived haptens, immunogens, antibodies and conjugates RANDOX LABORATORIES (GB) 2007-03-20 US disclosed
US-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine RANDOX LABORATORIES LIMITED (GB) 2006-10-05 US disclosed
EP-1657235-A2 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates Randox Laboratories Ltd. (GB) 2006-05-17 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 (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-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine HRH3, HRH4, HRH1 PPARA 4602/4885PTPN1 1190/4885CYP4F2 514/4885

“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.