Sugi Predict

Sugi Predict / Compounds / SCHEMBL2694476

SCHEMBL2694476

SCHEMBL2694476

CCCCCCCCCCCCCCCC(=O)N1CC(O)C[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.54
▸ TSHR P16473 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ ACE P12821 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ TRPV1 Q8NER1 4/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PPARG P37231 5/20 0.39
▸ PPARD Q03181 5/20 0.39
▸ PPARA Q07869 5/20 0.39
▸ HDAC11 Q96DB2 4/20 0.39
▸ GPR84 Q9NQS5 3/20 0.39
▸ TLR2 O60603 2/20 0.39

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
SCHEMBL396912 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL28707376 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL9217197 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL9209387 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL29075864 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL31222356 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL16872751 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL9217200 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL9209391 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1
SCHEMBL28481907 1.00 ATM (0.54) ATMTSHRALDH1A1ACEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117481998-A Retinol substitutes in skin treatment 西姆莱斯有限公司 2024-02-02 — — CN claimed
US-11801210-B2 Retinol replacement in skin treatment SYMRISE AG (DE) 2023-10-31 — — US claimed
WO-2022128050-A1 MEDICAMENT FOR FIGHTING INFLAMMATION AND PAIN SYMRISE AG (DE) 2022-06-23 — — WO claimed
WO-2022128048-A1 MEDICAMENT FOR PREVENTING OR TREATING PATHOLOGIC CONDITIONS OF HUMAN SKIN SYMRISE AG (DE) 2022-06-23 — — WO claimed
WO-2022128054-A1 MEDICAMENT FOR FIGHTING INFLAMMATORY CONDITIONS OF HUMAN SKIN (IV) SYMRISE AG (DE) 2022-06-23 — — WO claimed
WO-2022128051-A1 MEDICAMENT FOR FIGHTING INFLAMMATORY CONDITIONS OF HUMAN SKIN (II) SYMRISE AG (DE) 2022-06-23 — — WO claimed
WO-2022128052-A1 MEDICAMENT FOR FIGHTING INFLAMMATORY CONDITIONS OF HUMAN SKIN SYMRISE AG (DE) 2022-06-23 — — WO claimed
WO-2022122122-A1 MEDICAMENT FOR FIGHTING INFLAMMATORY CONDITIONS OF HUMAN SKIN (I) SYMRISE AG (DE) 2022-06-16 — — WO claimed
WO-2022122167-A1 MEDICAMENT FOR PREVENTING OR TREATING PATHOLOGIC CONDITIONS OF HUMAN SKIN (I) SYMRISE AG (DE) 2022-06-16 — — WO claimed
WO-2022111793-A1 MEDICAMENT FOR ACCELERATED WOUND HEALING SYMRISE AG (DE) 2022-06-02 — — WO 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
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
CN-102448450-A Compositions comprising trans-tert-butyl cyclohexanol as skin irritation-reducing agent SYMRISE GMBH & CO KG 2012-05-09 — — CN 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

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 ATM 4648/4885TSHR 1630/4885ALDH1A1 23/4885
US-11801210-B2 Retinol replacement in skin treatment RBP1, RBP4, LRAT ATM 4604/4885TSHR 1432/4885ALDH1A1 22/4885
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES PARG, PARN, TRPV1 ATM 3119/4885TSHR 3217/4885ALDH1A1 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.