SCHEMBL3104384

SCHEMBL3104384

CCCCCC1OC(=O)C(C)=C1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
ABHD16A O95870 1/20 0.43
CYP1A2 P05177 3/20 0.40
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
POLB P06746 1/20 0.37
FASN P49327 1/20 0.37
PTPN1 P18031 2/20 0.36
MAPT P10636 1/20 0.36
ACP1 P24666 1/20 0.36
CDC25B P30305 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN2 P17706 1/20 0.36
DUSP3 P51452 1/20 0.36
HPSE Q9Y251 1/20 0.36
GRM2 Q14416 4/20 0.36

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
SCHEMBL9542709 0.94 CES2 (0.40) CES2ABHD16ACYP1A2MAOAMAOB
SCHEMBL11954843 0.81 CES2 (0.43) CES2ABHD16ACYP1A2MAOAMAOB
SCHEMBL7559916 0.80 CES2 (0.52) CES2ABHD16ACYP1A2MAOAMAOB
SCHEMBL7563251 0.80 CES2 (0.49) CES2ABHD16ACYP1A2MAOAMAOB
SCHEMBL18784040 0.79 ABHD16A (0.46) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL16639646 0.79 ABHD16A (0.46) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL18784042 0.78 ABHD16A (0.48) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL5674415 0.78 ABHD16A (0.48) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL15598670 0.78 ABHD16A (0.48) CES2ABHD16ACYP1A2POLBFASN
SCHEMBL15598671 0.78 ABHD16A (0.48) CES2ABHD16ACYP1A2POLBFASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084827-B2 Biodegradable polyurethane/urea compositions POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2015-07-21 US claimed
US-20140099277-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2014-04-10 US claimed
US-20130150964-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2013-06-13 US claimed
US-7105628-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2006-09-12 US claimed
US-20040220378-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US claimed
CN-110869348-B Pyrrole compound, perfume composition, and cosmetic containing the same 长谷川香料株式会社 2023-09-12 CN disclosed
CN-116098279-A Matcha flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
CN-116103086-A Tea flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same T. HASEGAWA CO., LTD. (JP) 2022-05-17 US disclosed
US-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME T. HASEGAWA CO., LTD. (JP) 2020-05-21 US disclosed
US-20100255934-A1 COMPOSITIONS FOR GOLF EQUIPMENT ACUSHNET COMPANY 2010-10-07 US disclosed
US-7709590-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2010-05-04 US disclosed
US-20040220356-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220378-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220377-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220376-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220373-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220357-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
JP-2003013088-A COMPOSITION FOR IMPARTING AROMA, FLAVOR AND SMOKING FLAVOR AND DRINK, PERFUMERY, COSMETIC AND TOBACCO INCORPORATD WITH THE COMPOSITION SODA AROMATIC CO LTD 2003-01-15 JP disclosed
JP-2003013087-A COMPOSITOIN FOR IMPARTING AROMA AND FLAVOR AND FOOD, DRINK, PERFUMERY AND COSMETIC INCORPORATED WITH THE COMPOSITION SODA AROMATIC CO LTD 2003-01-15 JP 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-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME TAS1R1, TAS2R1, TAS1R2 CES2 3258/4885ABHD16A 3283/4885CYP1A2 615/4885
US-20140099277-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS PUF60, UMPS, COL2A1 CES2 3437/4885ABHD16A 1708/4885CYP1A2 2148/4885
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same TAS2R1, TAS1R1, TAS2R10 CES2 2928/4885ABHD16A 2466/4885CYP1A2 497/4885

“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.