SCHEMBL420964

SCHEMBL420964

CC(C)c1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB2 P47870 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL16940689 0.87 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL23085221 0.81 CES2 (0.43) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL4455674 0.81 P2RX7 (0.44) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL295349 0.81 CYP1A2 (0.47) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL23363630 0.81 CES2 (0.52) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL16953033 0.81 CES2 (0.43) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL7787820 0.81 CYP1A2 (0.47) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL14831217 0.81 CYP1A2 (0.47) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL1993389 0.81 CES2 (0.52) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL30846991 0.81 CES2 (0.52) GABRA1GABRG2GABRB3GABRB2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
WO-2024145569-A2 AZAINDOLE ROCK INHIBITORS AVICENNA BIOSCIENCES, INC. (US) 2024-07-04 WO disclosed
WO-2024112830-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240024295-A1 COMPOSITIONS AND METHODS FOR INHIBITING HAIR GROWTH OLSEN ELISE A (US) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed
WO-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 WO disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 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 (6 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 GABRA1 1476/4885GABRG2 2181/4885GABRB3 1972/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R GABRA1 210/4885GABRG2 153/4885GABRB3 295/4885
US-20240024295-A1 COMPOSITIONS AND METHODS FOR INHIBITING HAIR GROWTH FSHR, HIRA, FGFR1 GABRA1 3576/4885GABRG2 3599/4885GABRB3 2791/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 GABRA1 3840/4885GABRG2 3346/4885GABRB3 3709/4885
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 GABRA1 3548/4885GABRG2 4539/4885GABRB3 3531/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS GABRA1 3975/4885GABRG2 2978/4885GABRB3 3759/4885

“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.