SCHEMBL872846

SCHEMBL872846

C=CCOC(=O)C(CCCC)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NAAA Q02083 1/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP12 P39900 1/20 0.35
ECE1 P42892 1/20 0.35
MMP13 P45452 1/20 0.35
EPHX1 P07099 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL872973 0.94 TSHR (0.48) ALDH1A1GAATSHRNPSR1NAAA
SCHEMBL874451 0.91 ALDH1A1 (0.45) ALDH1A1GAATSHRNPSR1EPHX1
SCHEMBL873716 0.84 ALDH1A1 (0.47) ALDH1A1GAATSHRNPSR1EPHX1
SCHEMBL28825960 0.84 TSHR (0.52) ALDH1A1TSHRNPSR1SIGMAR1NAAA
SCHEMBL4955886 0.81 CA1 (0.47) TSHRCTSLCTSBCTSKSIGMAR1
SCHEMBL28267462 0.79 ALDH1A1 (0.47) ALDH1A1GAATSHRNPSR1CTSL
SCHEMBL8084596 0.79 TSHR (0.57) ALDH1A1TSHRNPSR1NAAAEPHX1
SCHEMBL6545328 0.78 ALDH1A1 (0.44) ALDH1A1GAANPSR1EPHX1NPC1
SCHEMBL28326331 0.78 GPR84 (0.41) ALDH1A1GAATSHRNPSR1CTSL
SCHEMBL11576811 0.77 TSHR (0.48) ALDH1A1TSHRNAAAEPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-20260078079-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NORBORNANE AND NORBORNENE DERIVATIVES OSMO LABS PBC (US) 2026-03-19 US disclosed
US-20260069734-A1 FRESHENING COMPOSITIONS COMPRISING CONTROLLED RELEASE MODULATORS ARYLESSENCE INC (US) 2026-03-12 US disclosed
US-20260028554-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES OSMO LABS PBC (US) 2026-01-29 US disclosed
US-12496370-B2 Freshening compositions comprising controlled release modulators Arylessence, Inc. (US) 2025-12-16 US disclosed
US-20250313523-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NORBORNANE AND NORBORNENE DERIVATIVES OSMO LABS, PBC 2025-10-09 US disclosed
US-20250236810-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING BENZENE DERIVATIVES OSMO LABS, PBC 2025-07-24 US disclosed
US-20250234910-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING THIENYL ALKANOATE DERIVATIVES OSMO LABS, PBC 2025-07-24 US disclosed
WO-2025049827-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING PYRAZOLE DERIVATIVES OSMO LABS, PBC (US) 2025-03-06 WO disclosed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
US-20100074971-A1 DOUBLE PREPARATION TYPE ANTIOXIDANT COMPOSITION AND ANTIOXIDATION PRODUCT COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-03-25 US disclosed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO disclosed
US-20090092571-A1 LIQUID DEODORANT COMPOSITION AND DEODORIZING METHOD TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-09 US disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
EP-2042198-A1 LIQUID DEODORANT COMPOSITION AND METHOD OF DEODORIZING Takasago International Corporation (JP) 2009-04-01 EP disclosed
US-20070092623-A1 Food products containing a fruit component TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-04-26 US disclosed
EP-1689256-A1 FOOD PRODUCTS CONTAINING A FRUIT COMPONENT Takasago International Corporation (JP) 2006-08-16 EP disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed
WO-2005048743-A1 FOOD PRODUCTS CONTAINING A FRUIT COMPONENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-02 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 (6 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-20250313523-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NORBORNANE AND NORBORNENE DERIVATIVES CYP8B1, CYP1B1, BBOX1 ALDH1A1 117/4885GAA 2701/4885TSHR 4274/4885
US-20250236810-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING BENZENE DERIVATIVES BBOX1, NISCH, TAS2R4 ALDH1A1 186/4885GAA 1251/4885TSHR 4188/4885
US-20260028554-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES TAS2R42, TAS2R4, TAS2R41 ALDH1A1 868/4885GAA 1984/4885TSHR 2405/4885
US-20260069734-A1 FRESHENING COMPOSITIONS COMPRISING CONTROLLED RELEASE MODULATORS FFAR1, FFAR2, FFAR3 ALDH1A1 697/4885GAA 1684/4885TSHR 1822/4885
US-20260078079-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NORBORNANE AND NORBORNENE DERIVATIVES CBR1, CBR3, TAS2R1 ALDH1A1 804/4885GAA 3289/4885TSHR 1119/4885
US-20250234910-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING THIENYL ALKANOATE DERIVATIVES TAS1R3, TAS2R5, TRPA1 ALDH1A1 117/4885GAA 2067/4885TSHR 998/4885

“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.