SCHEMBL7116131

SCHEMBL7116131

OCNCc1c(O)cccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CA2 P00918 9/20 0.40
▸ CA12 O43570 8/20 0.40
▸ CA9 Q16790 6/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ FYN P06241 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ PPIA P62937 1/20 0.38
▸ ADAMTS4 O75173 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
SCHEMBL5391085 0.81 HIF1A (0.43) TSHRHIF1ACYP2D6CA2CA12
SCHEMBL18844508 0.76 SLC28A3 (0.36) HPGDTDP1CYP3A4
SCHEMBL7116614 0.76 OPRK1 (0.42) TSHRHIF1ACYP2D6CA2CA12
SCHEMBL7114757 0.76 PKM (0.63) TSHRHIF1ACYP2D6CA2HSD17B10
SCHEMBL878974 0.74 TSHR (0.78) TSHRHIF1ACYP2D6CA2CA12
SCHEMBL5818267 0.73 ALOX15 (0.48) TSHRHIF1ACYP2D6CA2CA12
SCHEMBL4551579 0.71 ALDH1A1 (0.47) TSHRHIF1ACA2CA12CA9
SCHEMBL474894 0.70 CA12 (0.40) TSHRHIF1ACYP2D6CA2CA12
SCHEMBL3972301 0.70 KMT2A (0.51) TSHRCYP2D6CA2CA12ALDH1A1
SCHEMBL5272513 0.69 TSHR (0.41) TSHRHIF1ACYP2D6CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353636-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G-Clairol, Inc. (US) 2003-10-22 — — EP disclosed
WO-2002094208-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G - CLAIROL, INC. (US) 2002-11-28 — — WO disclosed
US-20020147193-A1 Novel couplers for use in oxidative hair dyeing CLAIROL INCORPORATED 2002-10-10 — — 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-20020147193-A1 Novel couplers for use in oxidative hair dyeing CBR1, CBR3, MT-CO1 TSHR 3179/4885HIF1A 1318/4885CYP2D6 315/4885

“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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