SCHEMBL1907855

SCHEMBL1907855

CC1(O)CC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ELANE P08246 1/20 0.44
HTR2C P28335 1/20 0.43

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
SCHEMBL6758987 1.00 ALDH1A1 (0.50) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL6876401 1.00 ALDH1A1 (0.50) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL6758990 0.89 ALDH1A1 (0.51) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL15289517 0.86 ALDH1A1 (0.49) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL15270499 0.86 ALDH1A1 (0.49) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL16118741 0.85 TSHR (0.48) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL16118742 0.85 TSHR (0.48) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL18317080 0.85 TSHR (0.48) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL23950204 0.85 ALDH1A1 (0.47) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL28378581 0.85 BACE1 (0.50) ALDH1A1HPGDTSHRFABP7FABP5

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
CN-113710656-A Substituted bicyclic compounds as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-26 CN disclosed
CN-112047927-A N-acyl-N' - (pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activity 德西费拉制药有限责任公司 2020-12-08 CN disclosed
CN-105228620-B N-acyl-N' - (pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activity 德西费拉制药有限责任公司 2020-09-04 CN disclosed
EP-2968287-B1 N-ACYL-N'-(PYRIDIN-2-YL) UREAS AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS LLC (US) 2020-06-24 EP disclosed
CN-110563700-A N-acyl-N' - (pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activity 德西费拉制药有限责任公司 2019-12-13 CN disclosed
US-9382228-B2 N-acyl-N′-(pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2016-07-05 US disclosed
US-9302120-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-04-05 US disclosed
US-9302120-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-04-05 US disclosed
WO-2013134298-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC (US) 2013-09-12 WO disclosed
US-8518984-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-08-27 US disclosed
US-8518984-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-08-27 US disclosed
EP-2499145-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS The Regents Of The University Of Michigan (US) 2012-09-19 EP disclosed
WO-2012065022-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-18 WO disclosed
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-17 US disclosed
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-17 US disclosed
WO-2011060049-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-19 WO disclosed
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-12 US disclosed
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-12 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 (4 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 ALDH1A1 2862/4885HPGD 962/4885TSHR 798/4885
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ALDH1A1 1498/4885HPGD 677/4885TSHR 2230/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885HPGD 962/4885TSHR 798/4885
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ALDH1A1 1498/4885HPGD 677/4885TSHR 2230/4885

“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.