SCHEMBL6854481

SCHEMBL6854481

C1=CCC(COP(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 3/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
RGS12 O14924 2/20 0.35

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
SCHEMBL13810637 0.75 TDP1 (0.46) KDM4EHSD17B10ALDH1A1LMNATSHR
SCHEMBL11664119 0.75 HTR2A (0.32)
SCHEMBL27346851 0.72 KDM4E (0.48) KDM4EHSD17B10ALDH1A1LMNATSHR
SCHEMBL17838080 0.71 KDM4E (0.40) KDM4EHSD17B10ALDH1A1LMNATSHR
SCHEMBL17601900 0.71 KDM4E (0.40) KDM4EHSD17B10ALDH1A1LMNATSHR
SCHEMBL6860443 0.71 OPRM1 (0.33)
SCHEMBL10295064 0.70 SLC6A4 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL6555814 0.70 SMN1; SMN2 (0.41) KDM4EHSD17B10ALDH1A1LMNATSHR
SCHEMBL12521565 0.69 CYP3A4 (0.30)
SCHEMBL11334683 0.69 ALDH1A1 (0.49) KDM4EALDH1A1LMNATSHRSMN1; SMN2

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
US-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 EP 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 KDM4E 2224/4885HSD17B10 1164/4885ALDH1A1 3180/4885

“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.