SCHEMBL6401725

SCHEMBL6401725

CCC(C)C1=CC(CC2C=C(C(C)CC)c3ccccc32)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HTR6 P50406 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTPN1 P18031 1/20 0.31
GPR3 P46089 1/20 0.31
HTR2A P28223 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
SCHEMBL6407221 0.86 BCHE (0.33) HTR6MEN1KMT2APOLBATM
SCHEMBL6401846 0.85 PTPN1 (0.40) HTR6MEN1KMT2APOLBATM
SCHEMBL6402578 0.79 MEN1 (0.40) HTR6MEN1KMT2APOLBATM
SCHEMBL28446639 0.79 TSHR (0.36) TSHRMEN1KMT2APOLBATM
SCHEMBL28441422 0.79 TSHR (0.36) TSHRMEN1KMT2APOLBATM
Hydrochloric Acid SCHEMBL28441416 0.77 TSHR (0.35) TSHRMEN1KMT2APOLBATM
SCHEMBL6409084 0.76 TSHR (0.34) TSHRMEN1KMT2APOLBATM
SCHEMBL20996236 0.76 TSHR (0.34) TSHRMEN1KMT2APOLBATM
SCHEMBL6401931 0.75 MEN1 (0.35) TSHRHTR6MEN1KMT2APOLB
SCHEMBL27352473 0.74 PTPN1 (0.37) HTR6MEN1KMT2APOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844288-B2 Process for the preparation of ligands for metallogene catalysts BASELL POLYOLEFINE GMBH (DE) 2005-01-18 US disclosed
US-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand EQUISTAR CHEMICALS, LP 2003-08-21 US disclosed
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts RESCONI LUIGI (IT) 2002-11-14 US disclosed
US-6423796-B1 COORDINATION CATALYST BASEL TECHNOLOGY COMPANY BV (NL) 2002-07-23 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 (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-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand MACF1, SDC1, SDC2 TSHR 4560/4885HTR6 4576/4885MEN1 3563/4885
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts SDC1, SDC2, SDC4 TSHR 4588/4885HTR6 4211/4885MEN1 2357/4885

“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.