SCHEMBL5829989

SCHEMBL5829989

Cc1ccccc1P.Cc1ccccc1P.Cc1ccccc1P.Cc1ccccc1P.[Pd]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ACHE P22303 3/20 0.53
ALDH1A1 P00352 4/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ESR1 P03372 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM2 P08172 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
SCHEMBL3563862 1.00 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL7947978 1.00
Phosphine SCHEMBL28298531 0.97 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL67348 0.97
Iodide SCHEMBL7953647 0.94
SCHEMBL9161372 0.94
SCHEMBL22472034 0.94
SCHEMBL30419542 0.94 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
Bromide SCHEMBL3712596 0.94
Hydrochloric Acid SCHEMBL5076752 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112916048-B Vanillin synthesis catalyst and preparation method thereof 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-112916048-A Vanillin synthesis catalyst and preparation method thereof 万华化学集团股份有限公司 2021-06-08 CN claimed
CN-112916048-B Vanillin synthesis catalyst and preparation method thereof 万华化学集团股份有限公司 2022-04-22 CN disclosed
CN-112916048-A Vanillin synthesis catalyst and preparation method thereof 万华化学集团股份有限公司 2021-06-08 CN disclosed
US-9567321-B2 Aromatic monomers deriving from glycerol units, process for their preparation and use thereof for the preparation of water-soluble conjugated polymers ENI S.P.A. (IT) 2017-02-14 US disclosed
US-9290483-B2 Aromatic monomers deriving from glycerol units, process for their preparation and use thereof for the preparation of water-soluble conjugated polymers ENI S.P.A. (IT) 2016-03-22 US disclosed
US-20160031864-A1 AROMATIC MONOMERS DERIVING FROM GLYCEROL UNITS, PROCESS FOR THEIR PREPARATION AND USE THEREOF FOR THE PREPARATION OF WATER-SOLUBLE CONJUGATED POLYMERS ENI S.P.A. (IT) 2016-02-04 US disclosed
EP-2566857-B1 AROMATIC MONOMERS DERIVING FROM GLYCEROL UNITS, PROCESS FOR THEIR PREPARATION AND USE THEREOF FOR THE PREPARATION OF WATER-SOLUBLE CONJUGATED POLYMERS ENI SPA (IT) 2014-12-10 EP disclosed
US-20130046072-A1 AROMATIC MONOMERS DERIVING FROM GLYCEROL UNITS, PROCESS FOR THEIR PREPARATION AND USE THEREOF FOR THE PREPARATION OF WATER-SOLUBLE CONJUGATED POLYMERS ENI S.P.A. (IT) 2013-02-21 US disclosed
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
US-6110922-A ARYL SULFIDE CONTAINING PENDANT CIS- OR TRANS-CINNAMIDE GROUPS ABBOTT LABORATORIES (US) 2000-08-29 US disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 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 (3 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-20160031864-A1 AROMATIC MONOMERS DERIVING FROM GLYCEROL UNITS, PROCESS FOR THEIR PREPARATION AND USE THEREOF FOR THE PREPARATION OF WATER-SOLUBLE CONJUGATED POLYMERS GK, MGLL, DAGLA TSHR 3539/4885ACHE 3832/4885ALDH1A1 410/4885
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM TSHR 4775/4885ACHE 3496/4885ALDH1A1 484/4885
US-20130046072-A1 AROMATIC MONOMERS DERIVING FROM GLYCEROL UNITS, PROCESS FOR THEIR PREPARATION AND USE THEREOF FOR THE PREPARATION OF WATER-SOLUBLE CONJUGATED POLYMERS GK, MGLL, F12 TSHR 3412/4885ACHE 3616/4885ALDH1A1 386/4885

“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.