SCHEMBL3033291

SCHEMBL3033291

Cc1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE2A O00408 1/20 0.39
NPBWR1 P48145 1/20 0.38
KIF11 P52732 1/20 0.38
NOTUM Q6P988 1/20 0.37
CES2 O00748 2/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37

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
SCHEMBL2269481 0.87 KIF11 (0.50) CYP1A1CYP1B1MAPTKIF11
SCHEMBL11405670 0.86 ALDH1A1 (0.43) CYP1A1CYP1B1ALDH1A1TSHRLMNA
SCHEMBL25376411 0.84 ALDH1A1 (0.42) CYP1A1CYP1B1ALDH1A1TSHRLMNA
SCHEMBL6853258 0.83 POLB (0.42) ALDH1A1LMNASMN1; SMN2MAPTPOLB
SCHEMBL9281221 0.81 ALDH1A1 (0.46) ALDH1A1TSHRLMNASMN1; SMN2NPC1
SCHEMBL5029197 0.81 ESR1 (0.48) CYP1A1CYP1B1ALDH1A1TSHRLMNA
SCHEMBL13550055 0.79 RAPGEF4 (0.55) LMNASMN1; SMN2MAPTKIF11
SCHEMBL472401 0.79 CES2 (0.50) LMNASMN1; SMN2MAPTPOLBBACE1
SCHEMBL23996182 0.79 CYP1A1 (0.43) CYP1A1CYP1B1MAPTBACE1KDM4E
SCHEMBL153434 0.79 CYP1A1 (0.44) CYP1A1CYP1B1TSHRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638436-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-10-29 EP disclosed
US-20250136594-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
EP-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
US-20240254118-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. 2024-08-01 US disclosed
WO-2024137852-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-06-27 WO disclosed
US-11925651-B2 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-03-12 US disclosed
CN-117186045-A Isobenzofuran-1 (3H) -ketone TREK-1 inhibitor, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-12-08 CN disclosed
US-11746099-B2 Method for producing optically active pyrrolidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-09-05 US disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-4946566-A PHOTOREDUCTION OF 9,10-PHENANTHRA-QUINONE AND DERIVATIVES CANADIAN PATENTS & DEVELOPMENT LTD. (CA) 1990-08-07 US disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 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 (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-11746099-B2 Method for producing optically active pyrrolidine compounds ME1, ALDH18A1, ALAD CYP1A1 805/4885CYP1B1 544/4885ALDH1A1 110/4885
US-20250136594-A1 COMPOUNDS AND METHODS OF USE CNKSR1, UGT1A1, REV1 CYP1A1 5/4885CYP1B1 12/4885ALDH1A1 29/4885
US-11925651-B2 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 CYP1A1 1607/4885CYP1B1 1198/4885ALDH1A1 1195/4885
US-20240254118-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT9 CYP1A1 4064/4885CYP1B1 3609/4885ALDH1A1 3108/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CYP1A1 15/4885CYP1B1 34/4885ALDH1A1 475/4885

“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.