SCHEMBL21114463

SCHEMBL21114463

O=C(O)c1cc2ccccc2cc1CCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ GFER P55789 1/20 0.46
▸ NGLY1 Q96IV0 1/20 0.46
▸ PTPN1 P18031 3/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GPR35 Q9HC97 3/20 0.44
▸ MYC P01106 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ME2 P23368 1/20 0.43
▸ ME1 P48163 1/20 0.43
▸ ME3 Q16798 1/20 0.43
▸ CASP1 P29466 1/20 0.42

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
SCHEMBL27701802 0.85 IDO1 (0.55) IDO1ALDH1A1KDM4EHPGDMAPT
Ethylene Glycol SCHEMBL27905573 0.82 IDO1 (0.61) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL29151337 0.82 PTPN1 (0.42) ALDH1A1KDM4EHPGDPTPN1HSD17B10
SCHEMBL26679331 0.81 CYP1A2 (0.57) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL27997437 0.80 TDP1 (0.46) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL9394407 0.79 ALDH1A1 (0.56) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL25260846 0.78 KAT8 (0.50) KDM4EHPGD
SCHEMBL69178 0.77 IDO1 (0.71) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL29373760 0.77 IDO1 (0.71) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL28183452 0.76 KDM4E (0.50) IDO1ALDH1A1KDM4EHPGDMAPT

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-10954361-B2 Curing agent for silicone rubber compounds NITROCHEMIE ASCHAU GMBH (DE) 2021-03-23 — — US disclosed
US-20190211187-A1 CURING AGENT FOR SILICONE RUBBER COMPOUNDS NITROCHEMIE ASCHAU GMBH (DE) 2019-07-11 — — 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 (2 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-10954361-B2 Curing agent for silicone rubber compounds CARM1, PRMT1, SRRM2 IDO1 4805/4885ALDH1A1 1173/4885KDM4E 136/4885
US-20190211187-A1 CURING AGENT FOR SILICONE RUBBER COMPOUNDS CARM1, PRMT1, SRRM2 IDO1 4805/4885ALDH1A1 1173/4885KDM4E 136/4885

“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.

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