SCHEMBL2036638

SCHEMBL2036638

[CH2]c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.34
KIF11 P52732 1/20 0.34
P2RX7 Q99572 1/20 0.33
CES1 P23141 1/20 0.33
CNR2 P34972 1/20 0.33
IDO1 P14902 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.32
PNMT P11086 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
PDK2 Q15119 1/20 0.32
LMNA P02545 2/20 0.31

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
SCHEMBL16953047 0.85 CA2 (0.41) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL2000756 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL646458 0.81 HSD11B1 (0.49) HSD11B1ALDH1A1POLBTDP1L3MBTL1
Lithium SCHEMBL5691154 0.79 HSD11B1 (0.44) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL3244584 0.78 HSD11B1 (0.30) HSD11B1
SCHEMBL67468 0.77 ALDH1A1 (0.43) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL5254379 0.77 KIF11 (0.33) HSD11B1ALDH1A1POLBAXLKIF11
SCHEMBL476648 0.76 MPL (0.40) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL6067687 0.75 HSD11B1 (0.55) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL16951150 0.74 NOTUM (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776553-A Own element of good fortune and its preparation method and application 山东师范大学 2019-05-21 CN claimed
CN-109678872-A Bisbenzylisoquinolincompounds compounds and its preparation method and application 山东师范大学 2019-04-26 CN claimed
US-20090176799-A1 PHOSPHODIESTERASE 4 INHIBITORS RUIPING LIU 2009-07-09 US claimed
US-20050272803-A1 Phosphodiesterase 4 inhibitors RUIPING LIU 2005-12-08 US claimed
EP-1435944-A1 4(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES Memory Pharmaceutical Corporation (US) 2004-07-14 EP claimed
EP-1194428-B1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS DIMENSIONAL PHARM INC (US) 2003-09-17 EP claimed
US-20030139406-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-07-24 US claimed
WO-2003032981-A1 4-(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES MEMORY PHARMACEUTICALS CORPORATION (US) 2003-04-24 WO claimed
US-6420397-B1 Heteroaryl protease inhibitors and diagnostic imaging agents 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-16 US claimed
EP-1194428-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-10 EP claimed
WO-2001004117-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-18 WO claimed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP claimed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP claimed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
US-12023371-B2 Terminally modified RNA MODERNATX, INC. (US) 2024-07-02 US disclosed
US-20240165267-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2024-05-23 US disclosed
WO-1999026926-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
US-5811834-A Light-emitting material for organo-electroluminescence device and organo-electroluminescence device for which the light-emitting material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-22 US disclosed
EP-0786926-A2 Light-emitting material for organo-electroluminescence device and organo-electroluminescence devive for which the light-emitting material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1997-07-30 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 (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-20030139406-A1 Phosphodiesterase 4 inhibitors PDE12, PDE4A, PDE5A HSD11B1 137/4885ALDH1A1 106/4885POLB 2842/4885
US-20240165267-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 HSD11B1 4781/4885ALDH1A1 1969/4885POLB 37/4885
US-20090176799-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE12, PDE3B HSD11B1 187/4885ALDH1A1 132/4885POLB 3029/4885
US-12023371-B2 Terminally modified RNA RNGTT, NSUN3, RNMT HSD11B1 4486/4885ALDH1A1 4235/4885POLB 511/4885
US-20050272803-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B HSD11B1 187/4885ALDH1A1 132/4885POLB 3029/4885

“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.