SCHEMBL14327773

SCHEMBL14327773

CC(C)(C)c1ccc(-c2cc3ccccc3c(-c3c(O)c(-c4ccc(C(C)(C)C)cc4O)cc4ccccc34)c2O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39

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
SCHEMBL14327783 0.90 MEN1 (0.47) GPR84MEN1KMT2AGAAPOLB
SCHEMBL14327784 0.81 HSP90AA1 (0.48) GPR84MEN1KMT2AGAAPOLB
SCHEMBL22229788 0.80 GPR84 (0.48) GPR84MEN1KMT2AGAAPOLB
SCHEMBL14327790 0.80 GPR84 (0.43) GPR84MEN1KMT2AGAAPOLB
SCHEMBL12786270 0.79 NQO1 (0.46) GPR84MEN1KMT2AALDH1A1HPGD
SCHEMBL340013 0.76 ALDH1A1 (0.73) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL31411213 0.76 ALDH1A1 (0.73) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL14327767 0.76 CA2 (0.47) GPR84MEN1KMT2AALDH1A1HPGD
SCHEMBL14327801 0.76 GPR84 (0.47) GPR84MEN1KMT2AGAAALDH1A1
SCHEMBL14327802 0.75 ALOX5 (0.51) GPR84MEN1KMT2AALDH1A1HPGD

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-8420847-B2 Bis-phosphate compound and asymmetric reaction using the same NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2013-04-16 — — US disclosed
US-8420847-B2 Bis-phosphate compound and asymmetric reaction using the same NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2013-04-16 — — US disclosed
US-20120330038-A1 BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME API CORPORATION (JP) 2012-12-27 — — 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-20120330038-A1 BIS-PHOSPHATE COMPOUND AND ASYMMETRIC REACTION USING THE SAME AASDHPPT, ALDH7A1, ATIC GPR84 2802/4885MEN1 1325/4885KMT2A 4503/4885

“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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