SCHEMBL3109601

SCHEMBL3109601

C=CCCC(=O)CC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 4/20 0.44
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RECQL P46063 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL28939413 0.88 ALDH1A1 (0.63) LMNAALDH1A1TSHRMGAMGAA
SCHEMBL514725 0.84
SCHEMBL9410839 0.83 ALDH1A1 (0.42) LMNAALDH1A1TSHRKDM4EABCC4
Water SCHEMBL11056984 0.82
SCHEMBL12808097 0.82 LMNA (0.67) LMNAALDH1A1TSHRKDM4EHSD17B10
SCHEMBL959397 0.82 GAA (0.52) LMNAALDH1A1TSHRMGAMGAA
SCHEMBL11206838 0.79 ALDH1A1 (0.44) LMNAALDH1A1TSHRABCC4MAPT
SCHEMBL8653190 0.79 ALDH1A1 (0.44) LMNAALDH1A1TSHRABCC4MAPT
SCHEMBL4998008 0.78 TSHR (0.44) LMNAALDH1A1TSHRMGAMGAA
SCHEMBL3425975 0.78 TSHR (0.44) LMNAALDH1A1TSHRMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed
US-9957254-B2 Cyclohexen-1-yl-pyridin-2-yl-1h-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2018-05-01 US disclosed
US-20170197941-A1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
EP-2763949-A1 GERANYLGERANYLACETONE DERIVATIVES Coyote Pharmaceuticals, Inc. (US) 2014-08-13 EP disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed
US-4245122-A USING TRICAPRYLMETHYLAMMONIUM CHLORIDE AS A PHASE TRANSFER AGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-01-13 US disclosed
US-4100184-A Process for producing 3-cyanomethyl cyclopentanone derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-07-11 US disclosed
US-4094886-A Process for producing allyl alcohol derivatives useful in prostaglandin synthesis (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-06-13 US disclosed
US-4073799-A Process for producing 3-formylcyclopentanone derivatives (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-02-14 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 (3 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-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN3, PHF20 LMNA 4120/4885ALDH1A1 1362/4885TSHR 3841/4885
US-20170197941-A1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B2 LMNA 2088/4885ALDH1A1 546/4885TSHR 2610/4885
US-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 LMNA 2020/4885ALDH1A1 3580/4885TSHR 53/4885

“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.