SCHEMBL845807

SCHEMBL845807

CCCCC(C)(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.47
SIGMAR1 Q99720 1/20 0.43
KIF11 P52732 1/20 0.43
ESR1 P03372 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41

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
SCHEMBL10441612 0.94 SIGMAR1 (0.46) ESR2SIGMAR1CYP2C19LMNA
SCHEMBL28803638 0.92 SIGMAR1 (0.45) ESR2SIGMAR1CYP2C19
SCHEMBL500650 0.92 SIGMAR1 (0.45) ESR2SIGMAR1CYP2C19
SCHEMBL7157124 0.92 SIGMAR1 (0.45) ESR2SIGMAR1CYP2C19
SCHEMBL28001899 0.92 SIGMAR1 (0.45) ESR2SIGMAR1CYP2C19
SCHEMBL10441856 0.92 SIGMAR1 (0.45) ESR2SIGMAR1CYP2C19
SCHEMBL1581793 0.92 SIGMAR1 (0.45) ESR2SIGMAR1CYP2C19
SCHEMBL27299341 0.92 SIGMAR1 (0.45) ESR2SIGMAR1CYP2C19
SCHEMBL3190448 0.89 SIGMAR1 (0.47) ESR2SIGMAR1ESR1CYP2C19LMNA
SCHEMBL3200007 0.89 CYP2C19 (0.50) ESR2SIGMAR1CYP2C19LMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025040241-A1 A SUNSCREEN COMPOSITION SYMRISE AG (DE) 2025-02-27 WO disclosed
US-12221458-B2 Organic borate-based catalyst, method for preparing isobutene oligomer using the same and isobutene oligomer prepared thereby LG CHEM, LTD. (KR) 2025-02-11 US disclosed
EP-4019128-B1 ORGANIC BORATE-BASED CATALYST, METHOD FOR PREPARING ISOBUTENE OLIGOMER BY USING SAME, AND ISOBUTENE OLIGOMER PREPARED THEREBY LG CHEMICAL LTD (KR) 2024-02-21 EP disclosed
CN-113661185-B Organoborate catalyst, process for producing isobutylene oligomer using the same, and isobutylene oligomer produced thereby 株式会社LG化学 2023-12-29 CN disclosed
CN-115836061-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2023-03-21 CN disclosed
CN-115803309-A Odorous compounds and methods of making the same 丝趣科尔卡有限公司 2023-03-14 CN disclosed
CN-115551829-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2022-12-30 CN disclosed
CN-110494413-B Compounds for reducing perception of malodour and uses thereof 凯姆克姆公司 2022-11-22 CN disclosed
CN-115003662-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2022-09-02 CN disclosed
US-20220204533-A1 Organic Borate-Based Catalyst, Method For Preparing Isobutene Oligomer Using The Same And Isobutene Oligomer Prepared Thereby LG CHEM, LTD. (KR) 2022-06-30 US disclosed
WO-2003031625-A1 ESTERASE ESTA EXTRACTED FROM RHODOCOCCUS RUBER DEGUSSA AG (DE) 2003-04-17 WO disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4650898-A PERFUMES, FOODS, CHEWING GUMS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-03-17 US disclosed
US-4632831-A GRAFEFRUIT-LIKE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-12-30 US disclosed
US-4610812-A Uses of methyl phenyl pentanol derivatives in augmenting or enhancing the aroma or taste of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-09-09 US disclosed
US-4131656-A Intermediates for 5-(tertiary alkyl) resorcinol preparation ELI LILLY AND COMPANY (US) 1978-12-26 US disclosed
US-4087410-A 5-(Tertiary alkyl) resorcinol preparation and intermediates therefor ELI LILLY AND COMPANY (US) 1978-05-02 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 (2 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-20220204533-A1 Organic Borate-Based Catalyst, Method For Preparing Isobutene Oligomer Using The Same And Isobutene Oligomer Prepared Thereby OXER1, ORC3, OSBP ESR2 2183/4885SIGMAR1 1037/4885KIF11 2578/4885
US-12221458-B2 Organic borate-based catalyst, method for preparing isobutene oligomer using the same and isobutene oligomer prepared thereby OXER1, ORC3, OSBP ESR2 2183/4885SIGMAR1 1037/4885KIF11 2578/4885

“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.