SCHEMBL9880599

SCHEMBL9880599

CCCCCCCCCCCc1nccn1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
P2RX4 Q99571 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PRCP P42785 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL9880598 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP3A4TSHRMAPK1
SCHEMBL9880601 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL12199191 0.84 LPO (0.40) ALDH1A1AGTR1AGTR2PPARGPPARA
SCHEMBL9880597 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL729229 0.79 AGTR1 (0.40) ALDH1A1TSHRAGTR1AGTR2POLB
SCHEMBL18686228 0.79 AGTR1 (0.40) ALDH1A1TSHRAGTR1AGTR2POLB
SCHEMBL27888203 0.78 FDPS (0.54) TSHRAGTR1AGTR2NPC1
SCHEMBL28785277 0.76 BCHE (0.43) ALDH1A1L3MBTL1CYP3A4TSHRMAPK1
SCHEMBL28236700 0.74 TLR7 (0.40) ALDH1A1TSHRAGTR1AGTR2POLB
SCHEMBL9880596 0.74 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRP2RX4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-8703384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-22 US disclosed
US-20120135350-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 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-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS AHNAK, POLL, NUDC CETP 4814/4885ALDH1A1 3913/4885L3MBTL1 3660/4885

“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.