SCHEMBL2473237

SCHEMBL2473237

O=C(O)C1CCc2cc(C3CCCCC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.49
ACMSD Q8TDX5 2/20 0.48
EPHX2 P34913 1/20 0.42
MAP4K4 O95819 2/20 0.41
PDE5A O76074 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FABP4 P15090 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL11673254 1.00 KMO (0.49) KMOACMSDEPHX2MAP4K4PDE5A
SCHEMBL11844811 0.93 KMO (0.48) KMOACMSDEPHX2MAP4K4PDE5A
SCHEMBL11674849 0.83 KMO (0.41) KMOACMSDEPHX2SMN1; SMN2HDAC8
SCHEMBL11674355 0.83 KMO (0.41) KMOACMSDEPHX2SMN1; SMN2HDAC8
SCHEMBL11852519 0.82 KMO (0.47) KMOACMSDEPHX2KMT2AKDM4E
SCHEMBL27808150 0.80 MAP4K4 (0.41) MAP4K4PDE5AFABP4
SCHEMBL11882602 0.78 EPHX2 (0.43) KMOACMSDEPHX2KMT2AKDM4E
SCHEMBL9364527 0.76 ESR1 (0.49) MAP4K4PDE5AHIF1AFABP4
SCHEMBL11187647 0.75 FABP4 (0.45) MAP4K4PDE5AFABP4
SCHEMBL18314117 0.75 PTGDR2 (0.37) MAP4K4PDE5AKMT2AKDM4EFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US claimed
JP-53121751-A None JP disclosed
JP-58052217-A None JP disclosed
JP-58052218-A None JP disclosed
CN-111808011-B High penetration composition and its application 泰飞尔生物医药(苏州)有限公司 2024-02-27 CN disclosed
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
US-11541029-B2 High penetration compositions and their applications TECHFIELDS PHARMA CO., LTD. (CN) 2023-01-03 US disclosed
CN-113636965-A High penetration composition and application thereof 于崇曦 2021-11-12 CN disclosed
CN-107320732-B High penetration composition and application thereof 于崇曦 2021-09-07 CN disclosed
CN-108191846-B High penetration composition and application thereof 于崇曦 2021-08-20 CN disclosed
JP-S5852217-A ANALGESIC, ANTIPYRETIC AND ANTI-INFLAMMATORY AGENT TAKEDA CHEM IND LTD 1983-03-28 JP disclosed
JP-S53121751-A PREPARATION OF INDANECARBOXYLIC ACID DERIVATIVES TAKEDA CHEM IND LTD 1978-10-24 JP disclosed
US-4046915-A TREATING HEMORRHAGE THE UPJOHN COMPANY (US) 1977-09-06 US disclosed
US-4004026-A Dicarboxylic acids and derivatives in the treatment of pain and inflammation CIBA-GEIGY CORPORATION (US) 1977-01-18 US disclosed
US-3996103-A DERIVATIVES OF PHENYL-1-INDANCARBOXYLIC ACIDS THE UPJOHN COMPANY (US) 1976-12-07 US disclosed
US-3940434-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed
US-3923866-A Process for producing indan derivatives TAKEDA CHEMICAL INDUSTRIES LTD 1975-12-02 US disclosed
JP-S05852217-A 0001-01-01 JP disclosed
JP-S05852218-A 0001-01-01 JP 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 (4 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 KMO 184/4885ACMSD 3109/4885EPHX2 3159/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE KMO 521/4885ACMSD 775/4885EPHX2 439/4885
US-11541029-B2 High penetration compositions and their applications SLC19A1, HIRA, SLC43A1 KMO 1055/4885ACMSD 2725/4885EPHX2 421/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 KMO 378/4885ACMSD 3179/4885EPHX2 454/4885

“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.