SCHEMBL4420858

SCHEMBL4420858

CCC([CH]C(C)(C)C)CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2961979 0.71
SCHEMBL4275827 0.62 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL5663155 0.61 TSHR (0.32) TSHR
SCHEMBL100921 0.60
SCHEMBL276926 0.60
SCHEMBL1136405 0.60
SCHEMBL13873167 0.59 TSHR (0.46) TSHRSMN1; SMN2
SCHEMBL29280207 0.58
SCHEMBL7692466 0.58 ADH1B (0.33) TSHR
SCHEMBL6953341 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312554-A1 Novel Process for the Preparation of Hexacyclic Compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
EP-2106413-A1 THERMALLY SENSITIVE POLYMERIC DYE TRANSFER INHIBITOR BASF SE (DE) 2009-10-07 EP disclosed
EP-1480984-B9 HEXACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-03-11 EP disclosed
WO-2008077910-A1 THERMALLY SENSITIVE POLYMERIC DYE TRANSFER INHIBITOR BASF SE (DE) 2008-07-03 WO disclosed
EP-1480984-B1 CONDENSED CAMPTOTHECINS AS ANTITUMOR AGENTS CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-06-11 EP disclosed
US-20060178376-A1 Novel process for the preparation of hexacyclic compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-08-10 US disclosed
US-6825194-B2 AN 11,12-(-N=C(=O,S OR NH)-NH-)CAMPTOTHECIN DERIVATIVE OR AN 11,12-(-N=CH-NH-)CAMPTOTHEDIN DERIVATIVE; ANTICARCINOGENIC, -TUMOR AND -PROLIFERATIVE AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-11-30 US disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 WO disclosed
WO-1993016033-A1 CYCLOHEXENONE OXIME ETHERS, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed
EP-0091594-B1 AMINOCARBOXYLIC ACID DERIVATIVES Sanraku Incorporated (JP) 1986-01-22 EP disclosed
US-4528397-A Aminocarboxylic acid derivatives SANRAKU-OCEAN CO., LTD. (JP) 1985-07-09 US disclosed
EP-0091594-A1 Aminocarboxylic acid derivatives Sanraku Incorporated (JP) 1983-10-19 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 (2 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-20060178376-A1 Novel process for the preparation of hexacyclic compounds CYP11B1, CYP4A11, CYP51A1 TSHR 1804/4885SMN1; SMN2 3908/4885
US-20090312554-A1 Novel Process for the Preparation of Hexacyclic Compounds CYP11B1, CYP4A11, CYP51A1 TSHR 1804/4885SMN1; SMN2 3908/4885

“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.