Phenol

Phenol

SCHEMBL6907309

Oc1ccccc1.Oc1ccccc1.[Ti].c1ccncc1.c1ccncc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.61
▸ CA12 O43570 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA3 P07451 2/20 0.61
▸ CA4 P22748 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ CA14 Q9ULX7 2/20 0.61
▸ GLA P06280 1/20 0.61
▸ TSHR P16473 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ NOTUM Q6P988 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ ESR1 P03372 4/20 0.41
▸ ESR2 Q92731 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ LTA4H P09960 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
Phenol SCHEMBL28070338 1.00 TDP1 (0.61) TDP1CA12CA1CA2CA3
Phenol SCHEMBL2209460 0.97 CA12 (0.65) TDP1CA12CA1CA2CA3
Phenol SCHEMBL27981079 0.97 CA12 (0.65) TDP1CA12CA1CA2CA3
Phenol SCHEMBL27981066 0.97 CA12 (0.65) TDP1CA12CA1CA2CA3
Phenol SCHEMBL6908600 0.97 CA12 (0.65) TDP1CA12CA1CA2CA3
Phenol SCHEMBL28637371 0.94 TDP1 (0.61) TDP1CA12CA1CA2CA3
Phenol SCHEMBL28802815 0.94 TDP1 (0.61) TDP1CA12CA1CA2CA3
Phenol SCHEMBL28569310 0.94 TDP1 (0.61) TDP1CA12CA1CA2CA3
Phenol SCHEMBL6904843 0.94 TDP1 (0.61) TDP1CA12CA1CA2CA3
Phenol SCHEMBL28498144 0.94 TDP1 (0.61) TDP1CA12CA1CA2CA3

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-6825296-B2 COORDINATION CATALYSTS THE UNIVERSITY OF HONG KONG (HK) 2004-11-30 — — US disclosed
US-20030191015-A1 Catalyst component for olefin polymerization UNIVERSITY OF HONG KONG, THE (CN) 2003-10-09 — — 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-20030191015-A1 Catalyst component for olefin polymerization CBR1, MSMO1, DUOX1 TDP1 2036/4885CA12 1642/4885CA1 1032/4885

“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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