SCHEMBL6848569

SCHEMBL6848569

NC(NCCO)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HIF1A Q16665 4/20 0.42
TAAR1 Q96RJ0 3/20 0.42
HTR3A P46098 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 2/20 0.41
APEX1 P27695 1/20 0.41
SLC6A2 P23975 3/20 0.39
OPRM1 P35372 3/20 0.39
CYP2D6 P10635 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2C9 P11712 2/20 0.39
ESR1 P03372 2/20 0.39
CYP1A2 P05177 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
SCHEMBL8016404 0.81 HIF1A (0.45) LMNAALDH1A1HSD17B10HIF1ATAAR1
SCHEMBL3675296 0.78 LMNA (0.46) LMNAALDH1A1HSD17B10HIF1ATAAR1
SCHEMBL10251190 0.73 LMNA (0.46) LMNAALDH1A1HSD17B10HIF1ATSHR
SCHEMBL23590442 0.73 ESR1 (0.44) LMNAALDH1A1HSD17B10HIF1ATAAR1
Hydrochloric Acid SCHEMBL11490445 0.71 CNR1 (0.44) LMNAALDH1A1HSD17B10HIF1ATAAR1
SCHEMBL11419847 0.71 TSHR (0.41) LMNAALDH1A1HSD17B10HIF1ATSHR
SCHEMBL1968165 0.70 ESR1 (0.50) LMNAALDH1A1HSD17B10KDM4EESR1
SCHEMBL6572701 0.70 TAAR1 (0.45) LMNAALDH1A1HSD17B10HIF1ATAAR1
SCHEMBL3041323 0.69 TAAR1 (0.48) LMNAALDH1A1HSD17B10HIF1ATAAR1
SCHEMBL9682953 0.69 TAAR1 (0.48) LMNAALDH1A1HSD17B10HIF1ATAAR1

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-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B LMNA 828/4885ALDH1A1 87/4885HSD17B10 1556/4885

“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.