SCHEMBL5391085

SCHEMBL5391085

CCNCc1c(O)cccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CA2 P00918 8/20 0.40
▸ CA12 O43570 7/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ CA9 Q16790 6/20 0.38
▸ CA1 P00915 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ PPIA P62937 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 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
SCHEMBL5272513 0.86 TSHR (0.41) HIF1ATSHRCYP2D6CA2CA12
SCHEMBL7116131 0.81 TSHR (0.43) HIF1ATSHRCYP2D6CA2CA12
SCHEMBL21163949 0.77 HSD17B10 (0.59) HIF1AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL13970811 0.76 KDM4E (0.55) CYP2D6KDM4E
SCHEMBL28422762 0.76 SLC6A2 (0.39) TSHRCYP2D6CA2CA9CA1
SCHEMBL7116614 0.76 OPRK1 (0.42) HIF1ATSHRCYP2D6CA2CA12
SCHEMBL7114757 0.76 PKM (0.63) HIF1ATSHRCYP2D6CA2CA1
SCHEMBL13973324 0.76 TSHR (0.54) HIF1ATSHRCYP2D6CA2CA12
SCHEMBL69199 0.75 HPGD (0.41) CA2CA12LMNACA9CA1
SCHEMBL13970839 0.74 MEN1 (0.49) KDM4EALDH1A1TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130315849-A1 USE OF 13-HYDROXY-9,11-OCTADECADIENOIC ACID FOR TANNING HUMAN SKIN EVONIK GOLDSCHMIDT GMBH (DE) 2013-11-28 — — US disclosed
EP-2658512-A2 USE OF 13-HYDROXY-9,11-OCTADECADIENOIC ACID FOR TANNING HUMAN SKIN, FOR DYEING HUMAN HAIR AND FOR TREATING POLYMORPHOUS LIGHT DERMATOSIS Evonik Degussa GmbH (DE) 2013-11-06 — — EP disclosed
WO-2012089465-A2 USE OF 13-HYDROXY-9,11-OCTADECADIENOIC ACID FOR TANNING HUMAN SKIN EVONIK GOLDSCHMIDT GMBH (DE) 2012-07-05 — — WO disclosed
US-7166711-B2 Cationic dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-23 — — US disclosed
US-7091358-B2 Cationic substituted hydrazone dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-08-15 — — US disclosed
US-20050120493-A1 Process for exchanging the anions of cationic compounds CIBA SPECIALTY CHEMICALS CORP. 2005-06-09 — — US disclosed
CN-1615343-A Yellow cationic dyes for dying of organic material CIBA SC HOLDING AG (CH) 2005-05-11 — — CN disclosed
CN-1556839-A Cationic reactive dyes 西巴特殊化学品控股有限公司 2004-12-22 — — CN disclosed
EP-1483334-A2 PROCESS FOR EXCHANGING THE ANIONS OF CATIONIC COMPOUNDS Ciba SC Holding AG (CH) 2004-12-08 — — EP disclosed
US-20040168265-A1 Cationic dyes CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 — — US disclosed
US-20040158937-A1 Cationic substituted hydrazone dyes CIBA SPECIALTY CHEMICALS CORP. 2004-08-19 — — US disclosed
WO-2003076518-A2 PROCESS FOR EXCHANGING THE ANIONS OF CATIONIC COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-18 — — WO 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 (3 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-20040168265-A1 Cationic dyes KRT18, NUP205, IK HIF1A 3578/4885TSHR 2469/4885CYP2D6 1042/4885
US-20050120493-A1 Process for exchanging the anions of cationic compounds SLC10A6, SLC43A1, SLCO4C1 HIF1A 4029/4885TSHR 3585/4885CYP2D6 2595/4885
US-20040158937-A1 Cationic substituted hydrazone dyes KRT18, CYC1, COL1A1 HIF1A 1869/4885TSHR 3209/4885CYP2D6 2912/4885

“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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