SCHEMBL25939787

SCHEMBL25939787

CC(C)(C)CCCCCCOCCC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL14586412 0.97 HRH3 (0.46) HRH3MEN1THRBHTTKMT2A
SCHEMBL27805443 0.95 HRH3 (0.47) HRH3MEN1THRBHTTKMT2A
SCHEMBL29926359 0.95 HRH3 (0.47) HRH3MEN1THRBHTTKMT2A
SCHEMBL4451768 0.95 HRH3 (0.47) HRH3MEN1THRBHTTKMT2A
SCHEMBL8462300 0.92 HRH3 (0.48) HRH3MEN1THRBHTTKMT2A
SCHEMBL7828951 0.89 HRH3 (0.44) HRH3
SCHEMBL26161632 0.86 HRH3 (0.43) HRH3MEN1THRBHTTKMT2A
SCHEMBL18503201 0.86 HRH3 (0.38) HRH3MEN1THRBHTTKMT2A
SCHEMBL18503244 0.86 HRH3 (0.38) HRH3MEN1THRBHTTKMT2A
SCHEMBL25884127 0.86 HRH3 (0.46) HRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230271982-A1 CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2023-08-31 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 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 (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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH HRH3 1667/4885MEN1 139/4885THRB 2795/4885
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 HRH3 2153/4885MEN1 3813/4885THRB 1964/4885
US-20230271982-A1 CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF VIP, SI, PDCD5 HRH3 1818/4885MEN1 882/4885THRB 4407/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH HRH3 948/4885MEN1 108/4885THRB 2573/4885

“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.