SCHEMBL4026261

SCHEMBL4026261

C=CCC(C)(C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.38
SSTR4 P31391 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KIF11 P52732 3/20 0.35
POLB P06746 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL13946950 0.88 TSHR (0.38) TSHRALDH1A1CYP2C19SSTR4HTT
SCHEMBL9045378 0.87 HTT (0.42) TSHRALDH1A1CYP2C19SSTR4HTT
SCHEMBL8801308 0.87 HTT (0.42) TSHRALDH1A1CYP2C19SSTR4HTT
SCHEMBL4022599 0.84 TSHR (0.39) TSHRCYP2C19SSTR4HDAC3HDAC1
SCHEMBL7553983 0.82 MAPT (0.42) TSHRALDH1A1CYP2C19HTT
SCHEMBL5796567 0.81 TSHR (0.42) TSHRCYP2C19SSTR4HDAC3HDAC1
SCHEMBL1077646 0.80 ALDH1A1 (0.46) TSHRALDH1A1HTTPOLB
SCHEMBL10988513 0.79 PRKAB2 (0.34) TSHRALDH1A1CYP2C19
SCHEMBL2927687 0.77 ALDH1A1 (0.62) TSHRALDH1A1CYP2C19HTTHDAC3
SCHEMBL14850480 0.77 ALDH1A1 (0.62) TSHRALDH1A1CYP2C19HTTHDAC3

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
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C TSHR 88/4885ALDH1A1 1439/4885CYP2C19 245/4885

“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.