SCHEMBL3485472

SCHEMBL3485472

NSSc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
KEAP1 Q14145 1/20 0.44
CYP2A6 P11509 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
IFNAR1 P17181 1/20 0.41
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.40
MAPK1 P28482 1/20 0.40
NPY2R P49146 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPRT1 P00492 1/20 0.39
USP2 O75604 1/20 0.38
PAK1 Q13153 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL253961 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL30550559 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL6325004 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL6274087 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL6274431 0.77 CYP1A2 (0.44) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL11691751 0.76 HSD17B10 (0.52) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL577858 0.75 IFNAR1 (0.60) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL31167972 0.75 IFNAR1 (0.60) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL30548749 0.73 IFNAR1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL1394585 0.73 HPRT1 (0.64) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME PEPTRON CO., LTD (KR) 2010-01-28 US claimed
US-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME PEPTRON CO., LTD (KR) 2010-01-28 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-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME SERPINA6, CSTB, PLG ALDH1A1 1756/4885HSD17B10 3063/4885TSHR 3136/4885

“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.