SCHEMBL6112808

SCHEMBL6112808

COc1cccc(CCCCC(=O)O)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.51
▸ LTB4R Q15722 3/20 0.49
▸ LTB4R2 Q9NPC1 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ ALOX5 P09917 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ F13A1 P00488 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2397158 0.89 LMNA (0.49) PPARALMNAPTGER1PTGER4PTGER3
SCHEMBL1206771 0.84 LTB4R (0.56) PPARALTB4RLTB4R2LMNAMAPT
SCHEMBL6112724 0.84 PPARA (0.52) PPARALTB4RLTB4R2HDAC1HDAC6
SCHEMBL7827662 0.84 ALOX5 (0.68) PPARALTB4RLTB4R2HDAC1HDAC6
SCHEMBL709396 0.83 LTB4R (0.59) PPARALTB4RLTB4R2HDAC1HDAC6
SCHEMBL11706103 0.83 POLB (0.42) PPARAHDAC1HDAC6LMNA
SCHEMBL6112796 0.82 PPARA (0.55) PPARALTB4RLTB4R2HDAC1HDAC6
SCHEMBL6112752 0.82 PPARA (0.51) PPARALTB4RLTB4R2HDAC1HDAC6
SCHEMBL31114215 0.82 PPARA (0.51) PPARALTB4RLTB4R2HDAC1HDAC6
SCHEMBL4426553 0.81 POLB (0.42) PPARALTB4RF13A1

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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 — — US disclosed
WO-2012068284-A2 EFFICIENT METHOD FOR PREPARING FUNCTIONALIZED BENZOSUBERENES BAYLOR UNIVERSITY (US) 2012-05-24 — — 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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 PPARA 153/4885LTB4R 743/4885LTB4R2 756/4885

“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.

Send feedback