SCHEMBL6905729

SCHEMBL6905729

[CH2]CC=C(C)C=CC=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL6905725 1.00 NR1I2 (0.39) NR1I2LMNAPGRTSHRALDH1A1
SCHEMBL6905675 0.96 NR1I2 (0.46) NR1I2LMNAPGRTSHRALDH1A1
SCHEMBL6906572 0.82 NR1I2 (0.51) NR1I2LMNAPGRALDH1A1ALOX15
SCHEMBL6906568 0.82 NR1I2 (0.51) NR1I2LMNAPGRALDH1A1ALOX15
SCHEMBL6905149 0.78 NR1I2 (0.71) NR1I2LMNAPGRTSHRALDH1A1
SCHEMBL6905147 0.78 NR1I2 (0.71) NR1I2LMNAPGRTSHRALDH1A1
SCHEMBL31223730 0.78 NR1I2 (0.41) NR1I2LMNAPGRTSHRALDH1A1
SCHEMBL28383384 0.78 NR1I2 (0.41) NR1I2LMNAPGRTSHRALDH1A1
SCHEMBL8068482 0.77 NR1I2 (0.37) NR1I2LMNAPGRTSHRALDH1A1
SCHEMBL28429614 0.76 NR1I2 (0.36) NR1I2LMNAPGR

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-6703527-B2 REACTING ALLYL ALCOHOL COMPOUND SUCH AS 2E,6E-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-OL WITH HYDRIDE ACCEPTOR SUCH AS 2-NITROBENZALDEHYDE IN THE PRESENCE OF AN ALUMINIUM ALKOXIDE AS AN OPPENAUER OXIDATION CATALYST NIKKEN CHEMICALS CO., LTD. (JP) 2004-03-09 US disclosed
US-20020198411-A1 Method for oxidation of allyl alcohol NIKKEN CHEMICALS CO., LTD. (JP) 2002-12-26 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-20020198411-A1 Method for oxidation of allyl alcohol ADH1A, ADH1C, ADH5 NR1I2 3723/4885LMNA 4281/4885PGR 4120/4885

“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.