SCHEMBL579748

SCHEMBL579748

NC(=O)C1(C(=O)O)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
AKR1C1 Q04828 1/20 0.32
FFAR3 O14843 1/20 0.32
CPB2 Q96IY4 2/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL28061196 1.00 CYP2C19 (0.39) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
Hydrochloric Acid SCHEMBL28070089 0.97 CYP2C19 (0.38) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL9032311 0.97 CYP2C19 (0.36) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL10332168 0.92 FFAR3 (0.33) CYP2C19FFAR3ACHE
Acrylic Acid SCHEMBL29199589 0.87 LMNA (0.40) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL811779 0.86 TSHR (0.36) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
Cyclohexane SCHEMBL9122052 0.86 TSHR (0.36) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL612927 0.86
Water SCHEMBL7154661 0.83 TSHR (0.35) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL518477 0.83 CYP2C19 (0.46) CYP2C19ALDH1A1SMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2016207084-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES SYMRISE AG (DE) 2016-12-29 WO claimed
EP-3108941-A1 COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES Symrise AG (DE) 2016-12-28 EP claimed
EP-2887929-A2 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) Symrise AG (DE) 2015-07-01 EP claimed
WO-2012143576-A2 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) SYMRISE AG (DE) 2012-10-26 WO claimed
EP-2168957-B1 Alkyl-substituted tetrahydropyranes as aromatic materials SYMRISE AG (DE) 2012-02-15 EP claimed
EP-2416766-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT Symrise AG (DE) 2012-02-15 EP 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-0337348-A2 Amides of cyclomethylen-1,2-bicarboxylic acids having therapeutical activity, processes for their preparation and pharmaceutical compositions containing them Laboratori Guidotti S.p.A. (IT) 1989-10-18 EP claimed
US-20240122816-A1 ARTICLES FOR INDIRECT TRANSFER OF COSMETIC ACTIVES TO SKIN SYMRISE AG (DE) 2024-04-18 US disclosed
US-11801210-B2 Retinol replacement in skin treatment SYMRISE AG (DE) 2023-10-31 US disclosed
US-11723850-B2 Liquid and transparent blend of UV filters Symrise, AG (DE) 2023-08-15 US disclosed
US-5376674-A Lipase inhibitors HOFFMAN-LA ROCHE INC. (US) 1994-12-27 US disclosed
US-5260310-A Oxetanone compounds and pharmaceutical compositions containing them HOFFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0444482-A2 Oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed
EP-0298695-A2 Tartaric acid amide derivative and method of producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-01-11 EP 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 (5 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-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT RBP1, RBP4, LRAT CYP2C19 1901/4885ALDH1A1 23/4885SMN1; SMN2 2966/4885
US-11801210-B2 Retinol replacement in skin treatment RBP1, RBP4, LRAT CYP2C19 1728/4885ALDH1A1 22/4885SMN1; SMN2 3314/4885
US-20240122816-A1 ARTICLES FOR INDIRECT TRANSFER OF COSMETIC ACTIVES TO SKIN CUTA, POLR1C, SLC16A7 CYP2C19 2203/4885ALDH1A1 938/4885SMN1; SMN2 3272/4885
US-11723850-B2 Liquid and transparent blend of UV filters F2, F12, F10 CYP2C19 53/4885ALDH1A1 594/4885SMN1; SMN2 4515/4885
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES PARG, PARN, TRPV1 CYP2C19 1381/4885ALDH1A1 3233/4885SMN1; SMN2 4528/4885

“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.