SCHEMBL12299083

SCHEMBL12299083

CCCCC(C)CCCCCCC(=O)NCCCOC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
FAAH O00519 5/20 0.49
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DNM1 Q05193 2/20 0.47
CASP2 P42575 1/20 0.46
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
LPAR1 Q92633 2/20 0.44
ENPP2 Q13822 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL14065638 1.00 TSHR (0.61) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL12934641 0.97 TSHR (0.61) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL13483552 0.97 TSHR (0.61) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL13023957 0.94 TSHR (0.61) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL4264199 0.94 TSHR (0.69) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL12090657 0.94 TSHR (0.69) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL23787581 0.93 TSHR (0.67) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL12840596 0.90 TSHR (0.63) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL12299088 0.90 TSHR (0.63) TSHRFAAHHPGDMEN1KMT2A
SCHEMBL16728765 0.89 TSHR (0.61) TSHRFAAHHPGDMEN1KMT2A

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-20110220140-A1 PROCESS FOR THE PERMANENT SHAPING OF HUMAN HAIR KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2011-09-15 US disclosed
US-7862806-B2 Hair cosmetic composition KAO CORPORATION (JP) 2011-01-04 US disclosed
US-7862806-B2 Hair cosmetic composition KAO CORPORATION (JP) 2011-01-04 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 (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-20110220140-A1 PROCESS FOR THE PERMANENT SHAPING OF HUMAN HAIR USP20, USP16, USP21 TSHR 3926/4885FAAH 3575/4885HPGD 84/4885

“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.