SCHEMBL3679820

SCHEMBL3679820

OOc1cccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.46
ABCB1 P08183 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
PTGDR Q13258 2/20 0.36
ADRA2A P08913 3/20 0.36
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL5159996 0.83 PTGDR2 (0.58) PTGDR2MEN1KMT2AHTR1DHTR1B
SCHEMBL2352902 0.83 PTGDR2 (0.58) PTGDR2MEN1KMT2AHTR1DHTR1B
SCHEMBL42935 0.83 PTGDR2 (0.58) PTGDR2MEN1KMT2AHTR1DHTR1B
SCHEMBL28728708 0.82 PTGDR2 (0.43) PTGDR2ABCB1MEN1KMT2AHTR1D
SCHEMBL1726399 0.81 PTGDR2 (0.43) PTGDR2ABCB1MEN1KMT2AHTR1D
SCHEMBL247375 0.81 PTGDR2 (0.50) PTGDR2ABCB1MEN1KMT2APTGDR
SCHEMBL2352942 0.81 PTGDR2 (0.56) PTGDR2MEN1KMT2AHTR1DHTR1B
SCHEMBL11391439 0.81 PTGDR2 (0.36) PTGDR2ABCB1PTGDRCEL
SCHEMBL11398430 0.81 PTGDR2 (0.36) PTGDR2ABCB1PTGDRCEL
SCHEMBL3269607 0.81 PTGDR2 (0.42) PTGDR2ABCB1MEN1KMT2AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063329-A1 METHOD FOR DECOMPOSING DI(PHENYLALKYL)PEROXIDES TO PRODUCE HYDROXYBENZENES AND PHENYLALKENES USING SOLID CATALYSTS SHELL OIL COMPANY 2010-03-11 US disclosed
WO-2007137020-A2 METHOD FOR DECOMPOSING DI(PHENYLALKYL)PEROXIDES TO PRODUCE HYDROXYBENZENES AND PHENYLALKENES USING SOLID CATALYSTS SHELL OIL COMPANY (US) 2007-11-29 WO disclosed
US-4282383-A FREE RADICAL CATALYST; TERTIARY-BUTYL, CUMENE OR P-DIISOPROPYLBENZENE HYDROPEROXIDE THE UPJOHN COMPANY (US) 1981-08-04 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-20100063329-A1 METHOD FOR DECOMPOSING DI(PHENYLALKYL)PEROXIDES TO PRODUCE HYDROXYBENZENES AND PHENYLALKENES USING SOLID CATALYSTS HAO2, HDHD5, PPOX PTGDR2 1435/4885ABCB1 3039/4885MEN1 4520/4885

“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.