SCHEMBL218661

SCHEMBL218661

OC[C@@H](O)COCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.70
CA2 P00918 3/20 0.70
CA7 P43166 3/20 0.70
CA9 Q16790 3/20 0.70
MAPK1 P28482 1/20 0.55
TSHR P16473 2/20 0.54
CA4 P22748 1/20 0.51
POLB P06746 1/20 0.50
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
AGER Q15109 1/20 0.50
TACR1 P25103 2/20 0.49
KMT2A Q03164 1/20 0.47

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
SCHEMBL16269805 1.00 CA1 (0.70) CA1CA2CA7CA9MAPK1
SCHEMBL122306 1.00 CA1 (0.70) CA1CA2CA7CA9MAPK1
SCHEMBL508126 1.00 CA1 (0.70) CA1CA2CA7CA9MAPK1
Bicarbonate SCHEMBL17044691 0.94 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL397022 0.90 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL25300063 0.89 CA1 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL30590458 0.89 CA1 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL24207966 0.89 CA1 (0.57) CA1CA2CA7CA9MAPK1
Glycerin SCHEMBL3807616 0.88 TSHR (0.65) CA1CA2CA7CA9MAPK1
SCHEMBL23455700 0.86 CA1 (0.54) CA1CA2CA7CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59076049-A None JP disclosed
JP-1228997-A None JP disclosed
JP-4257595-A None JP disclosed
EP-4744668-A2 POLYNUCLEOTIDE CONSTRUCTS Sirius Therapeutics, Inc. (US) 2026-05-20 EP disclosed
US-20260109714-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2026-04-23 US disclosed
EP-4709710-A1 IONIZABLE CATIONIC LIPIDS FOR RNA DELIVERY Arcturus Therapeutics, Inc. (US) 2026-03-18 EP disclosed
US-12453785-B2 Macrocyclic chelators and methods of use thereof JANSSEN BIOTECH, INC. (US) 2025-10-28 US disclosed
EP-4592295-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2025-07-30 EP disclosed
US-20250186456-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2025-06-12 US disclosed
US-20250084116-A1 MIXTURE OF STEREOISOMERS OF A SULFATED GLYCOLIPID NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2025-03-13 US disclosed
US-4329289-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-05-11 US disclosed
US-4314085-A Intermediates for preparing adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-02-02 US disclosed
US-4304721-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-12-08 US disclosed
US-4301300-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-17 US disclosed
US-4285873-A ANTIANDROGENS HOFFMANN-LA ROCHE INC. (US) 1981-08-25 US disclosed
US-4281189-A Sulfonamide intermediates for adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
US-4278608-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-14 US disclosed
US-4247710-A THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE HOFFMANN-LA ROCHE INC. (US) 1981-01-27 US disclosed
US-4202978-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC HOFFMANN-LA ROCHE INC. (US) 1980-05-13 US disclosed
EP-0005142-A1 Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 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 (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-20250084116-A1 MIXTURE OF STEREOISOMERS OF A SULFATED GLYCOLIPID DEGS1, SGMS1, SGMS2 CA1 2889/4885CA2 3446/4885CA7 3251/4885
US-20250186456-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF KRAS, NRAS, TP53 CA1 3584/4885CA2 3018/4885CA7 1870/4885
US-20260109714-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS CA1 1541/4885CA2 1003/4885CA7 573/4885
US-12453785-B2 Macrocyclic chelators and methods of use thereof CLASP1, CLTC, CD47 CA1 306/4885CA2 1839/4885CA7 1768/4885

“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.