SCHEMBL122160

SCHEMBL122160

COC(=O)CC(C)CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
KCNA5 P22460 1/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
SLC1A1 P43005 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL13898781 1.00 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL10604327 1.00 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL9333001 0.87 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL265822 0.83 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL3309517 0.82 TSHR (0.52) TSHRHSD17B10MGAMGAASI
SCHEMBL3686281 0.82 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL28291066 0.82 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL9205363 0.82 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL3584800 0.82 TSHR (0.52) TSHRHSD17B10MGAMGAASI
SCHEMBL2623479 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635961-B Indole analogs as 5-oxo-ETE receptor antagonists and methods of use thereof 皇家学习促进学会/麦吉尔大学 2021-07-20 CN disclosed
EP-3277665-B1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2020-03-04 EP disclosed
US-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-29 US disclosed
US-9108981-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-18 US disclosed
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-26 US disclosed
US-8901115-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-12 US disclosed
CN-102395578-A Compounds for the treatment of metabolic disorders PROSIDION LTD 2012-03-28 CN disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed
EP-0227306-B1 PEPTIDE IMMUNOSTIMULANTS PFIZER INC. (US) 1989-09-13 EP disclosed
EP-0318093-A2 Diarylquinoline diacids and their use as medicaments MERCK FROSST CANADA INC. (CA) 1989-05-31 EP disclosed
US-4767743-A ANTIINFECTION AGENTS PFIZER INC. (US) 1988-08-30 US disclosed
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed
EP-0227306-A2 Peptide immunostimulants PFIZER INC. (US) 1987-07-01 EP 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 TSHR 653/4885HSD17B10 146/4885MGAM 1395/4885
US-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF HTR5A, EDNRA, HTR3E TSHR 111/4885HSD17B10 1963/4885MGAM 3727/4885
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 TSHR 3059/4885HSD17B10 2893/4885MGAM 3588/4885
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 TSHR 3059/4885HSD17B10 2893/4885MGAM 3588/4885

“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.