SCHEMBL6406514

SCHEMBL6406514

COC(=O)C1C(C)C1COC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 7/20 0.43
POLB P06746 1/20 0.41
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6406810 0.87 SIGMAR1 (0.40) SLC6A4SLC6A3CYP1A2CYP2D6TSHR
SCHEMBL6411273 0.86 KDM4E (0.41) CYP1A2CYP2D6TSHRKMT2ACYP2C19
SCHEMBL6406457 0.85 CTSS (0.36) SLC6A4SLC6A3CYP1A2CYP2D6TSHR
SCHEMBL6411610 0.81 FABP7 (0.47) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL6407675 0.78 POLB (0.42) POLBCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL6411136 0.76
SCHEMBL6409639 0.75 CYP3A4 (0.55) SLC6A4SLC6A3POLBCYP1A2HSD17B10
SCHEMBL6408792 0.75 ALDH1A1 (0.48) CYP1A2CYP2D6TSHRMAPK1KMT2A
SCHEMBL6414832 0.74 POLB (0.41) SLC6A3POLBCYP1A2CYP2D6MAPK1
SCHEMBL6406923 0.73 HTT (0.41) SLC6A4SLC6A3CYP1A2HSD17B10CYP3A4

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-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids SUMITOMO CHEMICAL COMPAY LIMTED (JP) 2005-12-29 US disclosed
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 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-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids GRHPR, PCCA, C5 SLC6A4 4167/4885SLC6A3 4199/4885POLB 905/4885

“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.