Sugi Predict

Sugi Predict / Compounds / SCHEMBL115458

SCHEMBL115458

SCHEMBL115458

CC(=O)NCC(=O)OC1CC(C)CCC1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.54
▸ EPHX1 P07099 2/20 0.53
▸ ALDH1A1 P00352 8/20 0.48
▸ TSHR P16473 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
Bicarbonate SCHEMBL29195398 0.97 CYP19A1 (0.52) CYP19A1EPHX1ALDH1A1TSHRMAPT
Aceturic Acid SCHEMBL29195399 0.85 EPHX1 (0.50) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL5010580 0.85 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL23171811 0.85 CYP19A1 (0.53) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL23171685 0.84 EPHX1 (0.58) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL119559 0.84 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL18832114 0.84 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL10064065 0.84 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL12994248 0.84 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL15914460 0.84 CYP19A1 (0.57) CYP19A1EPHX1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4442241-A2 RETINOL REPLACEMENT IN SKIN TREATMENT Symrise AG (DE) 2024-10-09 — — EP claimed
EP-3773445-B1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2024-07-24 — — EP claimed
CN-117481998-A Retinol substitutes in skin treatment 西姆莱斯有限公司 2024-02-02 — — CN claimed
CN-107847772-B Pharmaceutical composition containing polyalkylene glycol derivative 西姆莱斯股份公司 2022-01-04 — — CN claimed
US-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2021-02-18 — — US claimed
EP-3773445-A1 RETINOL REPLACEMENT IN SKIN TREATMENT Symrise AG (DE) 2021-02-17 — — EP claimed
CN-111918637-A Retinol substitute in skin treatment 西姆莱斯有限公司 2020-11-10 — — CN claimed
WO-2019185923-A1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2019-10-03 — — WO claimed
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES SYMRISE AG (DE) 2018-07-05 — — US claimed
CN-107847772-A Pharmaceutical composition containing ployalkylene glycol derivative 西姆莱斯股份公司 2018-03-27 — — CN claimed
EP-2168957-B1 Alkyl-substituted tetrahydropyranes as aromatic materials SYMRISE AG (DE) 2012-02-15 — — EP claimed
US-20100226864-A1 ALKYL-SUBSTITUTED TETRAHYDROPYRANS AS FLAVORING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2010-09-09 — — US claimed
EP-2168957-A2 Alkyl-substituted tetrahydropyranes as aromatic materials Symrise GmbH & Co. KG (DE) 2010-03-31 — — EP claimed
US-20090226537-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2009-09-10 — — US claimed
WO-2009087242-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT SYMRISE GMBH & CO. KG (DE) 2009-07-16 — — WO claimed
EP-1959915-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING Symrise GmbH & Co. KG (DE) 2008-08-27 — — EP claimed
EP-1541039-B1 Flavour composition comprising cubebol and a further refreshing agent FIRMENICH & CIE (CH) 2008-01-02 — — EP claimed
WO-2007062957-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2007-06-07 — — WO claimed
US-20020012640-A1 Cosmetic composition for stressed skin under extreme conditions JEFFERIES FINANCE LLC, AS COLLATERAL AGENT 2002-01-31 — — US claimed
WO-2001095728-A1 COSMETIC COMPOSITION FOR STRESSED SKIN UNDER EXTREME CONDITIONS FD MANAGEMENT, INC. (US) 2001-12-20 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100226864-A1 ALKYL-SUBSTITUTED TETRAHYDROPYRANS AS FLAVORING SUBSTANCES TAS1R3, TAS2R10, TAS2R50 CYP19A1 2489/4885EPHX1 2547/4885ALDH1A1 69/4885
US-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT RBP1, RBP4, LRAT CYP19A1 219/4885EPHX1 663/4885ALDH1A1 23/4885
US-20090226537-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING H1-0, ASIC1, NHERF1 CYP19A1 111/4885EPHX1 2101/4885ALDH1A1 578/4885
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES PARG, PARN, TRPV1 CYP19A1 1501/4885EPHX1 1542/4885ALDH1A1 3233/4885

“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.