SCHEMBL4158985

SCHEMBL4158985

CC(C)N(C)CC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
TYMP P19971 1/20 0.32

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
SCHEMBL18756469 1.00 LMNA (0.40) LMNAALDH1A1TDP1THRBTSHR
SCHEMBL25685119 0.82 LMNA (0.38) LMNAALDH1A1TDP1THRBTSHR
SCHEMBL13532780 0.80 THRB (0.42) THRB
SCHEMBL19326404 0.79 TSHR (0.38) TSHR
SCHEMBL25803334 0.79 DNM1 (0.33) LMNAALDH1A1TSHR
SCHEMBL20243270 0.77
SCHEMBL7579561 0.77
SCHEMBL5041950 0.76 LMNA (0.42) LMNAALDH1A1TDP1THRBTSHR
SCHEMBL20753133 0.76 LMNA (0.42) LMNAALDH1A1TDP1THRBTSHR
SCHEMBL723158 0.76 LMNA (0.42) LMNAALDH1A1TDP1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
WO-2019035927-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO disclosed
US-9416111-B2 Substituted diazine and triazine spleen tyrosine kinease (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS MERCK SHARP & DOHME LLC 2015-06-18 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20090264427-A1 3-Cyanoquinolines, Methods for Preparation and Use as Insulin-like Growth Factor Inhibitors WYETH (US) 2009-10-22 US disclosed
US-20090036322-A1 Leukocyte Adsorbing Material UNIVERSITY OF SOUTHHAMPTON (GB) 2009-02-05 US disclosed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO 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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF EGFR, ERBB2, ERBB3 LMNA 3180/4885ALDH1A1 2665/4885TDP1 4291/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 LMNA 4066/4885ALDH1A1 250/4885TDP1 4207/4885
US-20090264427-A1 3-Cyanoquinolines, Methods for Preparation and Use as Insulin-like Growth Factor Inhibitors IGF1R, IGFBP1, IGFBP2 LMNA 1015/4885ALDH1A1 4615/4885TDP1 3414/4885
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS SYK, ZAP70, TYRO3 LMNA 4876/4885ALDH1A1 4142/4885TDP1 999/4885

“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.