SCHEMBL627712

SCHEMBL627712

CCCCCCC/C=C/C1(C)CCc2c(C)c(OCCCC(=O)O)c(C)c(C)c2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.60
ALDH1A1 P00352 4/20 0.39
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
DUSP3 P51452 2/20 0.39
LMNA P02545 2/20 0.39
FABP4 P15090 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PTPN7 P35236 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
FABP3 P05413 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL627714 1.00 PSEN1 (0.60) PSEN1ALDH1A1F7F3PPARG
SCHEMBL627713 1.00 PSEN1 (0.60) PSEN1ALDH1A1F7F3PPARG
SCHEMBL13084619 0.97 PSEN1 (0.62) PSEN1ALDH1A1F7F3PPARG
SCHEMBL634454 0.97 PSEN1 (0.62) PSEN1ALDH1A1F7F3PPARG
SCHEMBL634455 0.97 PSEN1 (0.62) PSEN1ALDH1A1F7F3PPARG
SCHEMBL13084634 0.97 PSEN1 (0.62) PSEN1ALDH1A1F7F3PPARG
SCHEMBL628645 0.97 PSEN1 (0.62) PSEN1ALDH1A1F7F3PPARG
SCHEMBL628647 0.97 PSEN1 (0.62) PSEN1ALDH1A1F7F3PPARG
SCHEMBL13084717 0.97 PSEN1 (0.62) PSEN1ALDH1A1F7F3PPARG
SCHEMBL628646 0.97 PSEN1 (0.62) PSEN1ALDH1A1F7F3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461362-B2 Protein phosphatase 2A-activating agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-06-11 US disclosed
US-8362071-B2 Antiadhesion agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-29 US disclosed
US-8362071-B2 Antiadhesion agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-29 US disclosed
EP-2419414-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS The Ohio State University Research Foundation (US) 2012-02-22 EP disclosed
US-20100267820-A1 ANTIADHESION AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
US-20100267820-A1 ANTIADHESION AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
US-20100267673-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS THE OHIO SATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
WO-2010121111-A1 ANTIADHESION AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 WO disclosed
WO-2010120711-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 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 (2 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-20100267673-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS PPP2CA, PPP2R2A, PPP2R1A PSEN1 1965/4885ALDH1A1 400/4885F7 4480/4885
US-20100267820-A1 ANTIADHESION AGENTS SELE, EPCAM, SELP PSEN1 3830/4885ALDH1A1 45/4885F7 205/4885

“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.