SCHEMBL4001990

SCHEMBL4001990

CC(C)(C)CC=CCC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 3/20 0.43
HIF1A Q16665 1/20 0.43
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP2D6 P10635 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
SCHEMBL4001984 1.00 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C19HIF1AHTT
SCHEMBL4002343 0.86 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C19HIF1AHTT
SCHEMBL4002340 0.86 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C19HIF1AHTT
SCHEMBL2927687 0.80 ALDH1A1 (0.62) ALDH1A1TSHRCYP2C19HIF1AHTT
SCHEMBL14850480 0.80 ALDH1A1 (0.62) ALDH1A1TSHRCYP2C19HIF1AHTT
SCHEMBL12323847 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C19HIF1AHTT
SCHEMBL4985960 0.79 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL4985966 0.79 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL11066699 0.79 TSHR (0.49) ALDH1A1TSHRCYP2C19HIF1AHTT
SCHEMBL7834770 0.77 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19HIF1AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 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 (1 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT ALDH1A1 2554/4885TSHR 4235/4885CYP2C19 865/4885

“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.