SCHEMBL17924585

SCHEMBL17924585

CC(C)c1cc(C(C)C)c(-c2ccccc2O)c(C(C)C)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GABRA1 P14867 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ AHR P35869 1/20 0.38

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
SCHEMBL30605076 0.85 ABCB1 (0.39) HPGDGABRA1GABRB2HSP90AA1ABCB1
SCHEMBL28313775 0.80 CA1 (0.45) HPGDGABRA1GABRB2HSP90AA1ABCB1
SCHEMBL17930300 0.77 ROCK2 (0.32) PTPN5
SCHEMBL17930299 0.76 PTPN5 (0.31) PTPN5
SCHEMBL4920369 0.76 GABRA1 (0.47) HPGDALDH1A1BCL2L1HSD17B10GABRA1
SCHEMBL31545892 0.76 ABCB1 (0.49) HPGDGABRA1GABRB2HSP90AA1ABCB1
SCHEMBL30731374 0.75 LMNA (0.43) ALDH1A1GABRA1GABRB2CYP1A2AHR
SCHEMBL7715672 0.75 GABRA1 (0.50) HPGDALDH1A1BCL2L1HSD17B10GABRA1
SCHEMBL11327097 0.75 HSP90AA1 (0.39) GABRA1GABRB2HSP90AA1ABCB1AHR
SCHEMBL29073846 0.74 PTGS2 (0.41) GCGRPTPN5BRD4

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-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-05 — — US disclosed
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-05 — — US disclosed
US-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-21 — — US disclosed
US-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-21 — — 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-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 HPGD 3969/4885ALDH1A1 3157/4885BCL2L1 1636/4885
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 HPGD 3969/4885ALDH1A1 3157/4885BCL2L1 1636/4885

“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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