SCHEMBL2083786

SCHEMBL2083786

O=C(O)C1Cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
P2RX7 Q99572 1/20 0.46
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PIN1 Q13526 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EDNRA P25101 2/20 0.41
EDNRB P24530 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL29559032 1.00 ALDH1A1 (0.53) ALDH1A1P2RX7TSHRNPSR1GAA
SCHEMBL8370379 0.83 ALDH1A1 (0.42) ALDH1A1P2RX7TSHRNPSR1GAA
SCHEMBL21012913 0.81 ALDH1A1 (0.41) ALDH1A1P2RX7TSHRNPSR1GAA
SCHEMBL15431053 0.81 SIGMAR1 (0.56) ALDH1A1TSHRNPSR1
SCHEMBL3840366 0.81 P2RX7 (0.49) P2RX7TSHRPIN1HDAC4HDAC7
SCHEMBL31300387 0.81 P2RX7 (0.45) ALDH1A1P2RX7GAAPIN1HDAC4
SCHEMBL3649959 0.81 P2RX7 (0.45) ALDH1A1P2RX7GAAPIN1HDAC4
SCHEMBL13979540 0.81 P2RX7 (0.45) P2RX7PIN1HDAC4HDAC7HDAC5
SCHEMBL4036815 0.80 MAOA (0.48) ALDH1A1TSHRNPSR1HDAC4HDAC7
SCHEMBL5731810 0.80 MAOA (0.48) ALDH1A1TSHRNPSR1HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 US claimed
EP-1951685-A1 NOVEL QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-06 EP claimed
WO-2007057447-A1 NOVEL QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-24 WO claimed
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 US claimed
US-6398857-B1 ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS XEROX CORPORATION 2002-06-04 US claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
US-4954584-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1990-09-04 US claimed
JP-3081253-A None JP disclosed
EP-4563146-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-06-04 EP disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
US-5068396-A Arylcyclobutene carboxylate esters SHELL OIL COMPANY (US) 1991-11-26 US disclosed
JP-H0381253-A BENZOCYCLOBUTENECARBOXYLIC ACID ESTER SHELL INTERNATL RES MAATSCHAPPIJ BV 1991-04-05 JP disclosed
EP-0402975-A2 Benzocyclobutene carboxylate esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-12-19 EP disclosed
US-4954583-A Arylcyclobutene carboxylate esters SHELL OIL COMPANY (US) 1990-09-04 US disclosed
US-4954584-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1990-09-04 US disclosed
EP-0043194-A2 Bicyclo-octatriene derivatives, pharmaceutical compositions containing them and processes and intermediates for their production FISONS plc (GB) 1982-01-06 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 (2 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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ALDH1A1 3140/4885P2RX7 3834/4885TSHR 1793/4885
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use KCNA7, KCNN3, KCNQ5 ALDH1A1 3467/4885P2RX7 57/4885TSHR 3532/4885

“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.