SCHEMBL2124908

SCHEMBL2124908

Cc1ccccc1N(C(C)O)C(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
AOC3 Q16853 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2038546 0.83 TRPA1 (0.41) TSHRLMNACYP3A4ALDH1A1TP53
SCHEMBL2038945 0.81 ACHE (0.43) TSHRACHESLC6A2SLC6A4SIGMAR1
SCHEMBL2640782 0.80 SLC6A2 (0.49) TSHRACHESLC6A2SLC6A4SIGMAR1
SCHEMBL21847416 0.78 SIGMAR1 (0.43) TSHRACHESLC6A2SLC6A4SIGMAR1
SCHEMBL9412057 0.77 GABRA1 (0.43) TSHRLMNACYP3A4NPC1RAB9A
SCHEMBL6536421 0.76 ADRB2 (0.42) TSHRSLC6A2SLC6A4LMNAPER2
SCHEMBL11389447 0.75 LMNA (0.42) TSHRSLC6A2SLC6A4SIGMAR1LMNA
SCHEMBL29216797 0.74 LMNA (0.38) TSHRACHESLC6A2SLC6A4SIGMAR1
SCHEMBL1054131 0.72 ALDH1A1 (0.34) TSHRACHESLC6A2SLC6A4SIGMAR1
SCHEMBL9039959 0.72 CA1 (0.46) TSHRSLC6A2SLC6A4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984673-B2 Dental cement composition KURARAY CO., LTD. (JP) 2006-01-10 US claimed
US-4632943-A RIGID, SHRINK RESISTANT, RIM DOW CHEMICAL COMPANY (US) 1986-12-30 US claimed
US-3972839-A ALKANOLAMINE, ALKALI METAL HYDROXIDE OXY METAL INDUSTRIES CORPORATION (US) 1976-08-03 US claimed
US-11904030-B2 Dental composition DENTSPLY SIRONA INC. (US) 2024-02-20 US disclosed
US-11883510-B2 Dental composition comprising a particulate carrier supporting a coinitiator DENTSPLY SIRONA INC. (US) 2024-01-30 US disclosed
US-11844848-B2 Photocurable dental composition DENTSPLY SIRONA INC. (US) 2023-12-19 US disclosed
US-11628125-B2 Photoinitiator modified polyacidic polymer DENTSPLY SIRONA INC. (US) 2023-04-18 US disclosed
US-20230100120-A1 DENTAL COMPOSITION COMPRISING A PARTICULATE CARRIER SUPPORTING A COINITIATOR DENTSPLY SIRONA INC. (US) 2023-03-30 US disclosed
EP-3246001-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2023-03-29 EP disclosed
EP-3761942-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2023-03-22 EP disclosed
CN-111989079-B Dental composition 登特斯普伊德特雷有限公司 2023-03-17 CN disclosed
EP-1269967-B1 Dental composition kit KURARAY CO (JP) 2005-05-18 EP disclosed
US-6869984-B2 Dental composition kit KURARAY CO., LTD. (JP) 2005-03-22 US disclosed
EP-0923924-B1 Dental adhesive kit SUN MEDICAL CO LTD (JP) 2005-03-09 EP disclosed
US-20030083398-A1 Dental composition kit KURARAY CO. LTD. (JP) 2003-05-01 US disclosed
US-20030055123-A1 Dental cement composition KURARAY CO. LTD, (JP) 2003-03-20 US disclosed
EP-1269967-A1 Dental composition kit KURARAY CO., LTD. (JP) 2003-01-02 EP disclosed
US-6288138-B1 Dental adhesive kit SUN MEDICAL CO., LTD. (JP) 2001-09-11 US disclosed
EP-0923924-A2 Dental adhesive kit SUN MEDICAL CO., LTD. (JP) 1999-06-23 EP disclosed
US-4295853-A EXTRACTING LIPOPEROXIDE FROM BLOOD OR SERUM, OXIDIZABLE COLOR REAGENT, COMPOUND OF MULTIVALENT METAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-20 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 (5 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-20230100120-A1 DENTAL COMPOSITION COMPRISING A PARTICULATE CARRIER SUPPORTING A COINITIATOR PICALM, PDS5B, CLTA TSHR 2840/4885ACHE 3568/4885SLC6A2 893/4885
US-11904030-B2 Dental composition CBR3, CBR1, PRDX3 TSHR 4242/4885ACHE 1912/4885SLC6A2 4856/4885
US-11844848-B2 Photocurable dental composition TST, SULT1A1, SULT2A1 TSHR 4613/4885ACHE 3573/4885SLC6A2 3298/4885
US-11628125-B2 Photoinitiator modified polyacidic polymer DOHH, OGDH, GGH TSHR 4455/4885ACHE 4658/4885SLC6A2 2517/4885
US-11883510-B2 Dental composition comprising a particulate carrier supporting a coinitiator PICALM, PDS5B, CLTA TSHR 2840/4885ACHE 3568/4885SLC6A2 893/4885

“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.