SCHEMBL179253

SCHEMBL179253

CC(C)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
HDAC8 Q9BY41 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MDM4 O15151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TYR P14679 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CA5A P35218 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
Ethylene SCHEMBL27799285 0.95 ACHE (0.44) ACHEHDAC4HDAC7HDAC5IDO1
Methoxymethane SCHEMBL28044286 0.93 AOC3 (0.49) ACHEHDAC4HDAC7HDAC5IDO1
SCHEMBL27815591 0.88 HDAC4 (0.43) ACHEHDAC4HDAC7HDAC5IDO1
SCHEMBL13119197 0.87 TAAR1 (0.53) ACHEHDAC4HDAC8KDM4EMDM4
SCHEMBL792296 0.85 ACHE (0.48) ACHEHDAC4HDAC7HDAC5IDO1
Ammonia Solution, Strong SCHEMBL6000669 0.83 ACHE (0.46) ACHEHDAC4HDAC7HDAC5IDO1
SCHEMBL17591473 0.83 ACHE (0.46) ACHEHDAC4HDAC7HDAC5IDO1
SCHEMBL4702366 0.82 HDAC4 (0.48) ACHEHDAC4HDAC7HDAC5IDO1
SCHEMBL24726527 0.82 CA12 (0.47) CA1CA2CA9
SCHEMBL19317577 0.82 PTGS1 (0.47) HDAC4HDAC8KDM4EHPGD

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 1914 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
WO-2006012504-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS DAIAMED, INC. (US) 2006-02-02 WO disclosed
WO-2005012304-A2 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
WO-2003101382-A2 COMPOUNDS USEFUL IN THE TREATMENT OF ANTHRAX AND INHIBITING LETHAL FACTOR MERCK & CO., INC. (US) 2003-12-11 WO disclosed
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
CN-1037327-A Preparation 2, the method for 3-phenyl-difluoride class MERCK PATENT GMBH (DE) 1989-11-22 CN 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 (5 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-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL ACHE 4731/4885HDAC4 3365/4885HDAC7 3552/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 ACHE 814/4885HDAC4 3659/4885HDAC7 3650/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP ACHE 3185/4885HDAC4 1812/4885HDAC7 1979/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 ACHE 260/4885HDAC4 1540/4885HDAC7 1266/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 ACHE 4764/4885HDAC4 5/4885HDAC7 2/4885

“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.