SCHEMBL5445033

SCHEMBL5445033

CC1(C)CC(O)/C(=N\O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PDK2 Q15119 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ TYMS P04818 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
SCHEMBL5445037 1.00 GRM1 (0.33) GRM1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL2941323 0.80 TSHR (0.34) GRM1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL5447581 0.76 IDO1 (0.44) CYP1A2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL14101425 0.71 PGR (0.44) TSHRKDM4EALDH1A1NOTUM
SCHEMBL1508195 0.71 PGR (0.44) TSHRKDM4EALDH1A1NOTUM
SCHEMBL7230533 0.69 HPGD (0.40) CYP1A2TSHRCYP2C19KMT2AALDH1A1
SCHEMBL7230530 0.69 HPGD (0.40) CYP1A2TSHRCYP2C19KMT2AALDH1A1
SCHEMBL8078753 0.69 HPGD (0.40) CYP1A2TSHRCYP2C19KMT2AALDH1A1
SCHEMBL193814 0.68 RAD52 (0.41) CYP1A2CYP2C19KDM4EKMT2AALDH1A1
SCHEMBL30303023 0.68 RAD52 (0.41) CYP1A2CYP2C19KDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015761-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2007-01-18 — — 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-20070015761-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES GRM1 3844/4885CYP1A2 25/4885CYP2C9 78/4885

“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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