SCHEMBL5737129

SCHEMBL5737129

COC(=O)C1(Cc2ccc(O)cc2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.46
▸ MGAM O43451 2/20 0.46
▸ SI P14410 2/20 0.46
▸ MGAM2 Q2M2H8 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ADRB2 P07550 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5750629 0.86 POLB (0.46) GAAMGAMSIMGAM2MAPT
SCHEMBL15897429 0.75 ALDH1A1 (0.40) GAAMGAMSIMGAM2MAPT
SCHEMBL15960834 0.74 TACR1 (0.50) MAPTKDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL23164033 0.74 ALDH1A1 (0.47) MAPTPOLBCYP3A4CYP2C9PKM
SCHEMBL12353911 0.74 CYP4F2 (0.44) GAAKDM4EPOLBCYP3A4CYP2C9
SCHEMBL20482549 0.73 REN (0.44) POLBCYP2C19ALDH1A1KMT2AHTT
SCHEMBL2028459 0.72 CYP4F2 (0.43) RECQLCYP3A4CYP2C9PKMCYP2C19
SCHEMBL16508916 0.72 CYP3A4 (0.40) RECQLCYP3A4CYP2C9PKMCYP2C19
SCHEMBL30683842 0.72 TACR1 (0.48) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL13089087 0.72 LOXL2 (0.50) MAPTPKMCYP2C19KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615899-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACIDS AS PPAR MODULATORS PFIZER INC. (US) 2006-01-18 — — EP disclosed
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 — — US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 — — US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 — — 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-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD GAA 1954/4885MGAM 4265/4885SI 3977/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD GAA 1954/4885MGAM 4265/4885SI 3977/4885

“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.

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