SCHEMBL504837

SCHEMBL504837

CC(O)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
AOC3 Q16853 1/20 0.50
CYP2D6 P10635 2/20 0.48
NFKB1 P19838 2/20 0.48
HIF1A Q16665 2/20 0.48
BLM P54132 1/20 0.47
PDE2A O00408 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PNMT P11086 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 2/20 0.43
ACP3 P15309 1/20 0.42
CASP1 P29466 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL316799 1.00 ADRB2 (0.55) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL15943179 1.00 ADRB2 (0.55) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL342944 1.00 ADRB2 (0.55) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL29633572 1.00 ADRB2 (0.55) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL11743000 0.88 ADRB2 (0.46) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL11606505 0.81 TSHR (0.50) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL253300 0.81 ADRB2 (0.52) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL253784 0.81 ADRB2 (0.52) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL253722 0.81 ADRB2 (0.52) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL253301 0.81 ADRB2 (0.52) ADRB2ADRB1AOC3CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292385-B Nitrogen-containing porous organic polymer composite material and preparation method and application thereof 苏州大学 2023-09-05 CN claimed
WO-2023123126-A1 NITROGEN-CONTAINING POROUS ORGANIC POLYMER COMPOSITE MATERIAL AND PREPARATION METHOD AND APPLICATION THEREOF 苏州大学 2023-07-06 WO claimed
CN-114292385-A Nitrogen-containing porous organic polymer composite material and preparation method and application thereof 苏州大学 2022-04-08 CN claimed
EP-3180340-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES INC (US) 2018-10-10 EP claimed
EP-3180340-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES Hydra Biosciences, Inc. (US) 2017-06-21 EP claimed
US-9440972-B2 Pyrido[2,3-d]pyrimidine-2,4(1 H,3H)-dione derivatives HYDRA BIOSCIENCES, INC. (US) 2016-09-13 US claimed
WO-2016023830-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. (US) 2016-02-18 WO claimed
US-20160046624-A1 PYRIDO[2,3-d]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-18 US claimed
EP-2464645-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Palo Alto, Inc. (US) 2012-06-20 EP claimed
EP-2137220-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX Bayer MaterialScience AG (DE) 2009-12-30 EP claimed
US-20080312403-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX BAYER MATERIALSCIENCE AG (DE) 2008-12-18 US claimed
WO-2008125199-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX BAYER MATERIALSCIENCE AG (DE) 2008-10-23 WO claimed
US-20260055113-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2026-02-26 US disclosed
EP-4568965-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
WO-2025096957-A1 RAS-PI3K INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
US-12291510-B2 2,5-dimercapto-1,3,4-thiadiazole (DMTD) derivatives THE LUBRIZOL CORPORATION (US) 2025-05-06 US disclosed
EP-0218553-A2 Process for the preparation of mixtures of metal salts of ring substituted salicylic acid compounds CIBA-GEIGY AG (CH) 1987-04-15 EP disclosed
EP-0181283-A1 Isomeric mixtures of metal salicylates, their preparation and utilisation CIBA-GEIGY AG (CH) 1986-05-14 EP disclosed
EP-0082006-A2 Method for producing vicinal dihalogenated products and uses thereof, and process for preparing epoxides using the same CETUS CORPORATION (US) 1983-06-22 EP disclosed
US-4024193-A Homogeneous hydrogenation process ICI UNITED STATES INC. (US) 1977-05-17 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 (4 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-20260055113-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, CLIC1 ADRB2 248/4885ADRB1 147/4885AOC3 308/4885
US-12291510-B2 2,5-dimercapto-1,3,4-thiadiazole (DMTD) derivatives DIMT1, PPID, THUMPD1 ADRB2 3555/4885ADRB1 3972/4885AOC3 929/4885
US-20160046624-A1 PYRIDO[2,3-d]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES TRPC5, P2RX5, HTR5A ADRB2 61/4885ADRB1 68/4885AOC3 2872/4885
US-20080312403-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX ACR, UTS2R, MUS81 ADRB2 1273/4885ADRB1 1501/4885AOC3 497/4885

“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.