SCHEMBL13856749

SCHEMBL13856749

CC(=O)c1cc(C(C)(C)c2ccc(O)cc2)cc(C(C)=O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.57
▸ ESR2 Q92731 5/20 0.57
▸ CYP3A4 P08684 5/20 0.57
▸ HPGD P15428 3/20 0.57
▸ TSHR P16473 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ ESRRG P62508 2/20 0.57
▸ AR P10275 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ HTR6 P50406 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ HSD17B1 P14061 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL14301487 0.84 ESR1 (0.55) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL14081748 0.82 PRKCE (0.42) ESR1ESR2CYP3A4HPGDTSHR
Bisphenol A SCHEMBL598259 0.80 ESR1 (0.80) ESR1ESR2CYP3A4HPGDTSHR
Bisphenol A SCHEMBL10555851 0.78 ESR1 (0.76) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL76175 0.78 ESR1 (0.84) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL13609958 0.78 ESR1 (0.53) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL2689876 0.77 ESR1 (0.67) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL13410390 0.77 PRKCE (0.40) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL14764650 0.77 GABRA1 (0.46) HPGDHSD17B10ALDH1A1LMNAKDM4E
Bisphenol A SCHEMBL23414108 0.76 ESR1 (0.80) ESR1ESR2CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 — — US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 — — US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 — — US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 — — US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 — — 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ESR1 1735/4885ESR2 1664/4885CYP3A4 2352/4885

“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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