SCHEMBL2909899

SCHEMBL2909899

CC(C)C(=O)OCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 3/20 0.40
TSHR P16473 3/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.38
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33

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
SCHEMBL887066 0.97 PAM (0.39) PAMTSHRCTHCBSTHPO
SCHEMBL18232156 0.91 PAM (0.44) PAMTSHRCTHCBSTHPO
SCHEMBL41709 0.81 TP53 (0.43) PAMTSHRCTHCBSTHPO
SCHEMBL27483337 0.81 TP53 (0.43) PAMTSHRCTHCBSTHPO
SCHEMBL7810255 0.80 NPC1 (0.38) TSHRALDH1A1NPC1MEN1LMNA
SCHEMBL7120017 0.79 TP53 (0.41) PAMTSHRCTHCBSTHPO
SCHEMBL21582138 0.79 TSHR (0.42) PAMTSHRCTHCBSTHPO
SCHEMBL15008849 0.79 TP53 (0.41) PAMTSHRCTHCBSTHPO
SCHEMBL9305155 0.79 PAM (0.38) PAMTSHRCTHCBSTHPO
SCHEMBL25946615 0.79 PAM (0.38) PAMTSHRCTHCBSTHPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118726541-A Oligonucleotide fluorescent probe and method for detecting environmental DNA by using same 青岛聚点儿科技有限公司 2024-10-01 CN claimed
US-20150021528-A1 SOLUBLE FUNCTIONALIZED NANOPARTICLES FOR USE IN OPTICAL MATERIALS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY (US) 2015-01-22 US claimed
CN-118726541-A Oligonucleotide fluorescent probe and method for detecting environmental DNA by using same 青岛聚点儿科技有限公司 2024-10-01 CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-9513406-B2 Soluble functionalized nanoparticles for use in optical materials UNIVERSITY OF OREGON (US) 2016-12-06 US disclosed
US-20160147150-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-05-26 US disclosed
US-20160147150-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-05-26 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
EP-1492759-B1 NOVEL ALICYCLIC ESTERS HAVING A MUSKY SMELL SYMRISE GMBH & CO KG (DE) 2010-08-04 EP disclosed
US-7064102-B2 Alicyclic esters having a musky smell SYMRISE GMBH & CO, KG (DE) 2006-06-20 US disclosed
US-20050182273-A1 Novel alicyclic esters having a musky smell SYMRISE AG (DE) 2005-08-18 US disclosed
CN-1653142-A Coating composition comprising an acetal-functional binder AKZO NOBEL COATINGS INT BV (NL) 2005-08-10 CN disclosed
EP-1492759-A2 NOVEL ALICYCLIC ESTERS HAVING A MUSKY SMELL Symrise GmbH & Co. KG (DE) 2005-01-05 EP disclosed
CN-1478092-A Benzoxazinone derivatives, their preparation and use ʷ 2004-02-25 CN disclosed
WO-2003082799-A2 ALICYCLIC ESTERS HAVING A MUSKY SMELL SYMRISE GMBH & CO. KG (DE) 2003-10-09 WO disclosed
US-5705680-A Process for the preparation of O-acylglycolanilides HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-06 US 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PAM 2965/4885TSHR 2404/4885CTH 2307/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PAM 2965/4885TSHR 2404/4885CTH 2307/4885
US-20050182273-A1 Novel alicyclic esters having a musky smell TAS2R16, TAS2R43, TAS2R45 PAM 2506/4885TSHR 4747/4885CTH 2898/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 PAM 2965/4885TSHR 2404/4885CTH 2307/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PAM 2965/4885TSHR 2404/4885CTH 2307/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PAM 2965/4885TSHR 2404/4885CTH 2307/4885

“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.