SCHEMBL2009904

SCHEMBL2009904

CCOC(=O)CCNC(=O)[C@H](O)C(C)(C)CO

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
KCNH2 Q12809 1/20 0.58
VNN1 O95497 13/20 0.53
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2009906 1.00 PTGS1 (0.58) PTGS1KCNH2VNN1GAACYP3A4
Ammonia Solution, Strong SCHEMBL27681737 0.98 PTGS1 (0.56) PTGS1KCNH2VNN1GAACYP3A4
Ether SCHEMBL21810687 0.96 PTGS1 (0.54) PTGS1KCNH2VNN1GAACYP3A4
Acetic Acid SCHEMBL31635217 0.96 PTGS1 (0.54) PTGS1KCNH2VNN1GAACYP3A4
SCHEMBL27616729 0.89 PTGS1 (0.59) PTGS1KCNH2VNN1
SCHEMBL10866945 0.89 PTGS1 (0.50) PTGS1KCNH2VNN1
SCHEMBL8389061 0.88 PTGS1 (0.55) PTGS1KCNH2VNN1
SCHEMBL8389060 0.88 PTGS1 (0.55) PTGS1KCNH2VNN1
Benzoic Acid SCHEMBL30829399 0.87 VNN1 (0.58) PTGS1KCNH2VNN1CYP3A4CYP2D6
SCHEMBL28165293 0.87 PTGS1 (0.56) PTGS1KCNH2VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605322-B2 Shampoo composition with non-sulfate surfactant and complexation compound forming a coacervate WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2026-04-21 US claimed
US-20250332120-A1 COMPOSITION FOR EXTERNAL PREPARATION KAO CORPORATION (JP) 2025-10-30 US claimed
CN-118401238-A Topical composition for acne and topical composition for selective antibacterial/bactericidal treatment of propionibacterium acnes 狮王株式会社 2024-07-26 CN claimed
WO-2024110278-A1 PRODUCTION OF PANTHENOL DSM IP ASSETS B.V. (NL) 2024-05-30 WO claimed
EP-4323331-A1 PRODUCTION OF PANTHENOL DSM IP Assets B.V. (NL) 2024-02-21 EP claimed
WO-2023229041-A1 HAIR GROWTH STIMULANT 株式会社アジュバンホールディングス 2023-11-30 WO claimed
CN-117120412-A Production of panthenol 帝斯曼知识产权资产管理有限公司 2023-11-24 CN claimed
WO-2023120583-A1 EXTERNAL COMPOSITION FOR ACNE, AND EXTERNAL COMPOSITION FOR ACNE BACTERIUM-SELECTIVE ANTIMICROBIAL/STERILIZATION ライオン株式会社 2023-06-29 WO claimed
WO-2022219173-A1 PRODUCTION OF PANTHENOL DSM IP ASSETS B.V. (NL) 2022-10-20 WO claimed
EP-3222269-B1 HAIR PAPILLA CELL ACTIVATOR EZAKI GLICO CO (JP) 2022-01-26 EP claimed
US-5702691-A Flavanonol derivatives and hair-nourishing, hair growing compositions containing the derivatives KAO CORPORATION (JP) 1997-12-30 US claimed
US-4717663-A XANTHOMONAS, CULTURES, AEROBIC, PANTOTHENIC ACID AND/OR THIAMINE (DERIVATIVE) THE NISSHIN OIL MILLS, LTD. (JP) 1988-01-05 US claimed
US-12636247-B2 Cosmetic SHIN-ETSU CHEMICAL CO., LTD. (JP) 2026-05-26 US disclosed
EP-4149415-B1 SHAMPOO COMPOSITION COMPRISING ALKYL GLUCOSIDE PROCTER & GAMBLE (US) 2026-05-20 EP disclosed
EP-3894015-B1 SHAMPOO COMPOSITION COMPRISING SHEET-LIKE MICROCAPSULES PROCTER & GAMBLE (US) 2026-05-20 EP disclosed
EP-4103335-B1 BOTTLE ADAPTED FOR STORING A LIQUID COMPOSITION WITH AN AESTHETIC DESIGN SUSPENDED THEREIN PROCTER & GAMBLE (US) 2026-05-20 EP disclosed
WO-1996012498-A2 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO disclosed
US-5445823-A Benzoyl peroxide and a compound for reducing skin irritation associated with it THE PROCTER & GAMBLE COMPANY (US) 1995-08-29 US disclosed
US-4717663-A XANTHOMONAS, CULTURES, AEROBIC, PANTOTHENIC ACID AND/OR THIAMINE (DERIVATIVE) THE NISSHIN OIL MILLS, LTD. (JP) 1988-01-05 US disclosed
EP-0189861-A2 Percutaneous absorption accelerator for ionic water-soluble medicine SHOWA DENKO KABUSHIKI KAISHA (JP) 1986-08-06 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 (2 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-12605322-B2 Shampoo composition with non-sulfate surfactant and complexation compound forming a coacervate SCO2, TST, PLOD3 PTGS1 3205/4885KCNH2 211/4885VNN1 1418/4885
US-12636247-B2 Cosmetic MSR1, TLR3, LOXL1 PTGS1 549/4885KCNH2 4173/4885VNN1 2918/4885

“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.