SCHEMBL1619504

SCHEMBL1619504

C=CCOC(=O)C(C)[CH]CC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 4/20 0.42
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 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
SCHEMBL5831086 0.81 TDP1 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL3809049 0.79 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL1619697 0.79 ALDH1A1 (0.42) CYP3A4CYP2C9ALDH1A1HSD17B10HPGD
SCHEMBL536216 0.76
SCHEMBL6476278 0.76 TDP1 (0.48) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL11813018 0.76 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL11853215 0.76 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL11813032 0.76 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL10062306 0.76 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL9283778 0.75 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928222-B2 Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium National University Corporation NARA Institute of Science and Technology (JP) 2011-04-19 US disclosed
US-20070224529-A1 Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium National University Corporation NARA Institute of Science and Technology (JP) 2007-09-27 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-20070224529-A1 Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium PPOX, PNMT, PAH TDP1 1968/4885TSHR 3399/4885CYP3A4 83/4885

“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.