SCHEMBL47718

SCHEMBL47718

CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 2/20 0.56
RECQL P46063 1/20 0.56
CA2 P00918 3/20 0.56
CA1 P00915 2/20 0.56
POLB P06746 1/20 0.54
TYR P14679 1/20 0.54
ALOX5 P09917 2/20 0.53
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
GLRA3 O75311 1/20 0.52
GLRB P48167 1/20 0.52
CA5A P35218 1/20 0.50
TNFRSF1A P19438 1/20 0.49
MEN1 O00255 1/20 0.48
GALR3 O60755 1/20 0.48

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
Hydrochloric Acid SCHEMBL11652321 0.96 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1ALDH1A1GAATDP1
Hydrochloric Acid SCHEMBL11652316 0.96 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1ALDH1A1GAATDP1
SCHEMBL11652318 0.94 SMN1; SMN2 (0.53) SMN1; SMN2NPSR1ALDH1A1GAATDP1
SCHEMBL9911749 0.88 CYP1A2 (0.57) SMN1; SMN2NPSR1ALDH1A1GAATDP1
SCHEMBL2123922 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1ALDH1A1GAATDP1
SCHEMBL1729125 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1ALDH1A1GAATDP1
SCHEMBL2122832 0.86 ESRRA (0.47) SMN1; SMN2NPSR1ALDH1A1GAATDP1
SCHEMBL2122707 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1ALDH1A1GAATDP1
SCHEMBL27954212 0.85 GLRA3 (0.52) SMN1; SMN2NPSR1ALDH1A1GAATDP1
SCHEMBL12994145 0.84 VCAM1 (0.47) SMN1; SMN2NPSR1ALDH1A1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120137288-A Low-crystal-point polyethylene-based packaging film, preparation method and application 安徽紫金新材料科技股份有限公司 2025-06-13 CN claimed
CN-119217699-B High-barrier recyclable eleven-layer co-extrusion film for food packaging and preparation process 安徽紫金新材料科技股份有限公司 2025-03-07 CN claimed
CN-119217699-A High-barrier recyclable eleven-layer co-extrusion film for food packaging and preparation process 安徽紫金新材料科技股份有限公司 2024-12-31 CN claimed
EP-4013438-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP GE Nutrients, Inc. (US) 2022-06-22 EP claimed
CN-114555104-A Herbal preparation for stimulating hair growth, controlling hair loss, dandruff and infections thereof using ageratum species GE营养有限公司 2022-05-27 CN claimed
US-20210046138-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP. GE NUTRIENTS, INC. (US) 2021-02-18 US claimed
WO-2021030717-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP. GE NUTRIENTS, INC. (US) 2021-02-18 WO claimed
EP-2885054-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP. Gencor Armats Biotek Pvt. Ltd (IN) 2015-06-24 EP claimed
WO-2014027370-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP. GENCOR ARMATS BIOTEK PVT. LTD (IN) 2014-02-20 WO claimed
EP-0449216-A1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1991-10-02 EP claimed
EP-0059090-B1 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP claimed
EP-0059090-A1 3,5-Di-tert-butyl-4-hydroxyphenyl-substituted heterocyclic compounds YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-09-01 EP claimed
CN-120137288-A Low-crystal-point polyethylene-based packaging film, preparation method and application 安徽紫金新材料科技股份有限公司 2025-06-13 CN disclosed
CN-120058450-A C (sp) in benzene ring2) Method for deuteration of the H bond 云南大学 2025-05-30 CN disclosed
CN-119217699-B High-barrier recyclable eleven-layer co-extrusion film for food packaging and preparation process 安徽紫金新材料科技股份有限公司 2025-03-07 CN disclosed
CN-119219550-A Reduction method of carboxylic ester compound 云南大学 2024-12-31 CN disclosed
EP-0059090-A1 3,5-Di-tert-butyl-4-hydroxyphenyl-substituted heterocyclic compounds YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-09-01 EP disclosed
US-4072724-A DEHYDROHALOGENATION OF ALPHA-HALOALKYL PHENOL THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-02-07 US disclosed
US-4044019-A STABILIZERS CIBA-GEIGY CORPORATION (US) 1977-08-23 US disclosed
US-3939175-A STABILIZER CIBA-GEIGY CORPORATION (US) 1976-02-17 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 (1 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-20210046138-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP. HES1, IL36G, AGER SMN1; SMN2 4574/4885NPSR1 1872/4885ALDH1A1 1169/4885

“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.