SCHEMBL345682

SCHEMBL345682

C=C(C)C(=O)OCCCCOP(=O)(O)OP(=O)(O)OCCCCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
BTN3A1 O00481 2/20 0.46
THRB P10828 1/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.39
LPAR3 Q9UBY5 4/20 0.35
LPAR2 Q9HBW0 3/20 0.35
LPAR1 Q92633 2/20 0.35
MVD P53602 2/20 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
SCHEMBL3446727 0.98 TSHR (0.59) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL347059 0.98 TSHR (0.59) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL346577 0.98 TSHR (0.59) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL1436153 0.98 TSHR (0.59) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL3448467 0.98 TSHR (0.59) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL374520 0.98 TSHR (0.59) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL1173708 0.98 TSHR (0.59) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL3447207 0.97 TSHR (0.51) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL3447223 0.93 BTN3A1 (0.56) TSHRBTN3A1THRBPOLBAPEX1
SCHEMBL345781 0.93 TSHR (0.59) TSHRBTN3A1THRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329845-B2 Divided redox-curing type composition KURARAY NORITAKE DENTAL INC. (JP) 2012-12-11 US claimed
WO-2024150826-A1 DENTAL COMPOSITION クラレノリタケデンタル株式会社 2024-07-18 WO disclosed
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME KURARAY NORITAKE DENTAL INC. (JP) 2024-05-23 US disclosed
WO-2024096019-A1 DENTAL ADHESIVE COMPOSITION クラレノリタケデンタル株式会社 2024-05-10 WO disclosed
EP-4364718-A1 DENTAL CURABLE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2024-05-08 EP disclosed
US-20240139078-A1 DENTAL FILLING KIT KURARAY NORITAKE DENTAL INC. (JP) 2024-05-02 US disclosed
EP-4360609-A1 DENTAL ADHESIVE KIT Kuraray Noritake Dental Inc. (JP) 2024-05-01 EP disclosed
US-20240091107-A1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2024-03-21 US disclosed
US-20240074946-A1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2024-03-07 US disclosed
EP-4331559-A1 DENTAL FILLING KIT Kuraray Noritake Dental Inc. (JP) 2024-03-06 EP 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
US-20030083398-A1 Dental composition kit KURARAY CO. LTD. (JP) 2003-05-01 US disclosed
US-20030064102-A1 Antimicrobial Composition NAKATSUKA KAZUMITSU (JP) 2003-04-03 US disclosed
US-20030055123-A1 Dental cement composition KURARAY CO. LTD, (JP) 2003-03-20 US disclosed
EP-1285947-A1 ANTIMICROBIAL COMPOSITION KURARAY CO., LTD. (JP) 2003-02-26 EP disclosed
EP-1269967-A1 Dental composition kit KURARAY CO., LTD. (JP) 2003-01-02 EP disclosed
EP-1269968-A1 Dental cement composition KURARAY CO., LTD. (JP) 2003-01-02 EP disclosed
US-20020198284-A1 Adhesive composition KURARAY CO. LTD, (JP) 2002-12-26 US disclosed
EP-1262530-A1 ADHESIVE COMPOSITION KURARAY CO., LTD. (JP) 2002-12-04 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 (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-20240074946-A1 DENTAL COMPOSITION PIEZO1, TAS2R42, EIF2B3 TSHR 3861/4885BTN3A1 1386/4885THRB 2752/4885
US-20240139078-A1 DENTAL FILLING KIT DHX29, DHX35, DHX15 TSHR 4803/4885BTN3A1 3724/4885THRB 4487/4885
US-20240091107-A1 DENTAL COMPOSITION CCT7, TAS2R42, CCT5 TSHR 3718/4885BTN3A1 2214/4885THRB 3006/4885
US-20030064102-A1 Antimicrobial Composition AAAS, H1-0, H1-10 TSHR 4699/4885BTN3A1 1445/4885THRB 3108/4885
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME MSL1, ITGA1, ASH2L TSHR 4172/4885BTN3A1 1348/4885THRB 3818/4885

“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.