SCHEMBL2171044

SCHEMBL2171044

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 4/20 0.47
ALOX15 P16050 1/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
FFAR3 O14843 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
TSHR P16473 1/20 0.35
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34

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
SCHEMBL9885358 0.87 LMNA (0.41) ALDH1A1LMNACTSKMAPTMAPK1
SCHEMBL12879947 0.87 ALDH1A1 (0.43) ALDH1A1LMNAALOX15CTSKMAPT
SCHEMBL30321100 0.86 ALDH1A1 (0.41) ALDH1A1LMNAALOX15CTSKMAPT
SCHEMBL6894783 0.85 LMNA (0.68) ALDH1A1LMNAMAPTMAPK1TSHR
SCHEMBL10087763 0.83 LMNA (0.71) ALDH1A1LMNAMAPTMAPK1TSHR
SCHEMBL6895947 0.83 LMNA (0.71) ALDH1A1LMNAMAPTMAPK1TSHR
SCHEMBL6892355 0.81 ALDH1A1 (0.50) ALDH1A1LMNAALOX15MAPTMAPK1
SCHEMBL14753124 0.81 ALDH1A1 (0.50) ALDH1A1LMNAALOX15MAPTMAPK1
SCHEMBL120124 0.80
SCHEMBL2170363 0.80 CYP2C19 (0.38) ALDH1A1LMNAALOX15CTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030068295-A1 Odor neutralizers SYMRISE AG (DE) 2003-04-10 US claimed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 EP claimed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 WO claimed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 US disclosed
EP-3661567-A1 SCENT SWITCH DEVICE Symrise AG (DE) 2020-06-10 EP disclosed
US-20200171194-A1 SCENT SWITCH DEVICE SYMRISE AG (DE) 2020-06-04 US disclosed
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-12 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
US-20100111889-A1 Malodor Control System PROCTER & GAMBLE COMPANY, THE 2010-05-06 US disclosed
US-7157433-B2 Compounds, compositions as carriers for steroid/nonsteroid anti-inflammatory; antienoplastic and antiviral active molecules GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB (HR) 2007-01-02 US disclosed
US-7157411-B2 Odor neutralizers SYMRISE GMBH & CO. KG (DE) 2007-01-02 US disclosed
EP-1239890-B1 ODOR NEUTRALIZERS SYMRISE GMBH & CO KG (DE) 2004-11-10 EP disclosed
US-20030068295-A1 Odor neutralizers SYMRISE AG (DE) 2003-04-10 US disclosed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 EP disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 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 (7 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-20030068295-A1 Odor neutralizers OXER1, OR51E2, OR10J3 ALDH1A1 581/4885LMNA 3855/4885ALOX15 498/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 ALDH1A1 1082/4885LMNA 2642/4885ALOX15 2808/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 ALDH1A1 1082/4885LMNA 2642/4885ALOX15 2808/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885ALOX15 1492/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885LMNA 4705/4885ALOX15 234/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885ALOX15 1492/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885ALOX15 1492/4885

“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.