SCHEMBL821837

SCHEMBL821837

O=C(OCCO)C(O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ SLC7A5 Q01650 2/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ SRR Q9GZT4 2/20 0.43
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ MDM2 Q00987 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CPA1 P15085 2/20 0.41
▸ CPA3 P15088 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ CPB1 P15086 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41

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
SCHEMBL9312239 0.84 CYP1A2 (0.44) CYP1A2SLC7A5CHRM1SRRALPI
SCHEMBL5810826 0.84 LMNA (0.51) CYP1A2CHRM1SRRTDP1CYP3A4
SCHEMBL24816421 0.83 TSHR (0.50) CYP1A2CHRM1SRRTDP1TSHR
SCHEMBL262278 0.81 ALDH1A1 (0.55) CYP1A2SRRTDP1ALDH1A1
SCHEMBL4219709 0.81 ALDH1A1 (0.55) CYP1A2SRRTDP1ALDH1A1
SCHEMBL7046944 0.81 ALDH1A1 (0.55) CYP1A2SRRTDP1ALDH1A1
SCHEMBL2426331 0.81 TSHR (0.54) CHRM1TDP1CYP3A4TSHRALDH1A1
SCHEMBL7019120 0.81 SLC7A5 (0.59) CYP1A2SLC7A5SRRALPIPKM
SCHEMBL31257795 0.81 CYP3A4 (0.55) CYP1A2SLC7A5CHRM1SRRCYP3A4
SCHEMBL1147651 0.81 SLC7A5 (0.59) CYP1A2SLC7A5SRRALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 — — US 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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 CYP1A2 1359/4885SLC7A5 2011/4885CHRM1 4592/4885

“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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