SCHEMBL13734572

SCHEMBL13734572

CCCCCCCCCCCCCCCCC(C(=O)O)C(C)CC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ACE2 Q9BYF1 1/20 0.47
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 1/20 0.47
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CA2 P00918 2/20 0.41
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL21082799 1.00 ALDH1A1 (0.48) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL13733268 1.00 ALDH1A1 (0.48) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL6234057 0.93 CA2 (0.47) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL19569931 0.84 ACE2 (0.44) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL3304320 0.83 GPR84 (0.55) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL3902890 0.83 GPR84 (0.55) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL3299361 0.83 GPR84 (0.55) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL3913154 0.83 GPR84 (0.55) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL2488736 0.83 GPR84 (0.55) ALDH1A1ACE2GPR84FFAR1MAPT
SCHEMBL5027014 0.83 GPR84 (0.55) ALDH1A1ACE2GPR84FFAR1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335364-A1 COMPOSITIONS OF DICAFFEOYLQUINIC ACIDS WITH TOCOPHEROL SYMRISE AG (DE) 2024-10-10 US disclosed
EP-4442241-A2 RETINOL REPLACEMENT IN SKIN TREATMENT Symrise AG (DE) 2024-10-09 EP disclosed
EP-3773445-B1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2024-07-24 EP disclosed
EP-4373462-A1 COMPOSITIONS OF DICAFFEOYLQUINIC ACIDS WITH TOCOPHEROL Symrise AG (DE) 2024-05-29 EP disclosed
US-11801210-B2 Retinol replacement in skin treatment SYMRISE AG (DE) 2023-10-31 US disclosed
WO-2023001385-A1 COMPOSITIONS OF DICAFFEOYLQUINIC ACIDS WITH TOCOPHEROL SYMRISE AG (DE) 2023-01-26 WO disclosed
US-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2021-02-18 US disclosed
EP-3773445-A1 RETINOL REPLACEMENT IN SKIN TREATMENT Symrise AG (DE) 2021-02-17 EP disclosed
CN-111918637-A Retinol substitute in skin treatment 西姆莱斯有限公司 2020-11-10 CN disclosed
WO-2019185923-A1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2019-10-03 WO disclosed
US-20160008297-A1 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) 2016-01-14 US disclosed
EP-2887929-A2 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) Symrise AG (DE) 2015-07-01 EP disclosed
WO-2012143576-A2 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) SYMRISE AG (DE) 2012-10-26 WO 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-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT RBP1, RBP4, LRAT ALDH1A1 23/4885ACE2 3921/4885GPR84 512/4885
US-11801210-B2 Retinol replacement in skin treatment RBP1, RBP4, LRAT ALDH1A1 22/4885ACE2 3768/4885GPR84 451/4885
US-20160008297-A1 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) TRPV2, TRPV1, TRPM2 ALDH1A1 2905/4885ACE2 272/4885GPR84 948/4885

“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.