SCHEMBL12804190

SCHEMBL12804190

CC(C)(c1cc(Cl)ccc1O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALOX15 P16050 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ NFE2L2 Q16236 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
SCHEMBL5604737 0.80 HSD17B10 (0.46) HSD17B10TSHRALOX15ALDH1A1HPGD
SCHEMBL1116804 0.79 HSD17B10 (0.50) HSD17B10TSHRALOX15ALDH1A1HPGD
SCHEMBL11317922 0.79 HSD17B10 (0.50) HSD17B10TSHRALOX15ALDH1A1HPGD
SCHEMBL768507 0.79 ALDH1A1 (0.61) HSD17B10TSHRALOX15ALDH1A1HPGD
SCHEMBL12803903 0.78 NR3C1 (0.41) HSD17B10TSHRALOX15ALDH1A1HTT
SCHEMBL818330 0.78 HSD17B10 (0.48) HSD17B10TSHRALOX15ALDH1A1HPGD
SCHEMBL8389745 0.76 HSD17B10 (0.48) HSD17B10TSHRALOX15ALDH1A1HPGD
SCHEMBL11312768 0.74 HSD17B10 (0.41) HSD17B10TSHRALOX15ALDH1A1HPGD
SCHEMBL12804704 0.74 NR3C1 (0.45) ALDH1A1HPGDMAPK1HTTLMNA
SCHEMBL30553151 0.73 ALOX15 (0.44) HSD17B10TSHRALOX15ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 — — EP disclosed
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 — — EP disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 — — US disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 — — US disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 — — US disclosed
US-8697673-B2 Bicyclic pyridinones PFIZER INC. (US) 2014-04-15 — — US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 — — US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 — — US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 — — US disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 — — US disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 — — US disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 — — US disclosed
WO-2012131539-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2012-10-04 — — WO 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-20140045790-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 HSD17B10 876/4885TSHR 2424/4885ALOX15 2070/4885
US-20120252758-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 HSD17B10 876/4885TSHR 2424/4885ALOX15 2070/4885

“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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