SCHEMBL78619

SCHEMBL78619

CC(C)(C)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KIF11 P52732 3/20 0.45
P2RX1 P51575 1/20 0.45
CYP19A1 P11511 2/20 0.44
ACHE P22303 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL29441583 1.00 HDAC4 (0.47) HDAC4HDAC2HDAC8KIF11P2RX1
Methyl Alcohol SCHEMBL27512784 0.95 HDAC4 (0.48) HDAC4HDAC2HDAC8KIF11P2RX1
Cyanide SCHEMBL28096589 0.93 HDAC4 (0.42) HDAC4HDAC2HDAC8KIF11P2RX1
Formaldehyde SCHEMBL27512785 0.93 HDAC4 (0.47) HDAC4HDAC2HDAC8KIF11P2RX1
SCHEMBL28783990 0.89 HDAC4 (0.44) HDAC4HDAC2HDAC8KIF11P2RX1
SCHEMBL27507808 0.89 HDAC4 (0.44) HDAC4HDAC2HDAC8KIF11P2RX1
SCHEMBL8137247 0.85 ESR1 (0.50) KIF11CYP19A1ALDH1A1TSHRNPSR1
SCHEMBL11867770 0.83 LMNA (0.41) HDAC4HDAC2HDAC8KIF11P2RX1
SCHEMBL11469047 0.83 CYP19A1 (0.43) KIF11CYP19A1ALDH1A1TSHRKMT2A
SCHEMBL12811806 0.83 ALDH1A1 (0.43) KIF11CYP19A1ALDH1A1TSHRKMT2A

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 1300 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239821-A1 N-ACYL FOSMIDOMYCIN PRODRUG ANALOGS AS NOVEL ANTIINFECTIVE AGENTS THE GEORGE WASHINGTON UNIVERSITY 2024-07-18 US disclosed
US-20240239821-A1 N-ACYL FOSMIDOMYCIN PRODRUG ANALOGS AS NOVEL ANTIINFECTIVE AGENTS THE GEORGE WASHINGTON UNIVERSITY 2024-07-18 US 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
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-6551758-B2 For use in microfabrication of integrated circuits SHIN-ETSU CHEMICAL CO. LTD. (JP) 2003-04-22 US disclosed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
US-20020077493-A1 Novel onium salts, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-06-20 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
EP-0442115-B1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1993-11-24 EP disclosed
US-5105036-A Friedel-Crafts catalyst and oxy-substituted cyclic amidines as cocatylsts; preferential formation of p-isomer BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0442115-A1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1991-08-21 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 (9 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 HDAC4 3140/4885HDAC2 2604/4885HDAC8 2729/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD HDAC4 1015/4885HDAC2 734/4885HDAC8 683/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 HDAC4 1713/4885HDAC2 2115/4885HDAC8 1893/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 HDAC4 3659/4885HDAC2 1910/4885HDAC8 3217/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 HDAC4 345/4885HDAC2 1378/4885HDAC8 357/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 HDAC4 1713/4885HDAC2 2115/4885HDAC8 1893/4885
US-20020077493-A1 Novel onium salts, photoacid generators, resist compositions, and patterning process ABL1, PI4K2B, FES HDAC4 3316/4885HDAC2 3553/4885HDAC8 3437/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HDAC4 2987/4885HDAC2 1773/4885HDAC8 1632/4885
US-20240239821-A1 N-ACYL FOSMIDOMYCIN PRODRUG ANALOGS AS NOVEL ANTIINFECTIVE AGENTS PSPH, PGLS, DNPEP HDAC4 601/4885HDAC2 1256/4885HDAC8 187/4885

“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.