SCHEMBL12081769

SCHEMBL12081769

CCc1cc(CC)cc(CC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ GPR84 Q9NQS5 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPA1 O75762 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BCL2 P10415 1/20 0.32

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
SCHEMBL12081994 0.89 RXRA (0.38) RXRARXRBGPR84POLBALDH1A1
SCHEMBL13905068 0.82 BCL2 (0.47) RXRARXRBALDH1A1TDP1MEN1
Acetic Acid SCHEMBL27852475 0.81 RXRA (0.54) RXRARXRBALDH1A1TRPA1PLK1
SCHEMBL13438518 0.80 AKR1B1 (0.48) RXRAPOLBALDH1A1TDP1MEN1
SCHEMBL6491963 0.80 THRB (0.50) RXRARXRBPOLBALDH1A1TDP1
SCHEMBL564730 0.80 ALDH1A1 (0.54) RXRARXRBPOLBALDH1A1TDP1
SCHEMBL12081708 0.78 SMN1; SMN2 (0.38) GPR84POLBALDH1A1CYP3A4HSP90AB1
SCHEMBL19165345 0.76 GPR84 (0.72) GPR84ALDH1A1CYP3A4THRBPTGS2
SCHEMBL10865907 0.75 TPMT (0.42) POLBALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3175121 0.75 HSP90AB1 (0.59) POLBCYP3A4HSP90AB1MEN1KMT2A

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
US-8586705-B2 Macromolecular compounds having controlled stoichiometry STARPHARMA PTY LIMITED (AU) 2013-11-19 — — US disclosed
US-20120302730-A1 MACROMOLECULAR COMPOUNDS HAVING CONTROLLED STOICHIOMETRY STARPHARMA PTY LIMITED (AU) 2012-11-29 — — US disclosed
US-8258259-B2 Macromolecular compounds having controlled stoichiometry STARPHARMA PTY LIMITED (AU) 2012-09-04 — — US disclosed
US-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry STARPHARMA PTY LIMITED (AU) 2009-05-07 — — 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 (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-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry MICA, PICALM, CLTB RXRA 4602/4885RXRB 4578/4885GPR84 2188/4885
US-20120302730-A1 MACROMOLECULAR COMPOUNDS HAVING CONTROLLED STOICHIOMETRY MICA, PICALM, CLTB RXRA 4602/4885RXRB 4578/4885GPR84 2188/4885

“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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