SCHEMBL2293687

SCHEMBL2293687

CC(C)(C)CC(C)(C)c1cc(O)c(-c2c(O)cc(C(C)(C)CC(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
ALDH1A1 P00352 8/20 0.43
CYP3A4 P08684 7/20 0.43
ALOX15 P16050 6/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP2C9 P11712 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATP2A2 P16615 1/20 0.40
ATP2A3 Q93084 1/20 0.40
CYP2D6 P10635 1/20 0.40
IDH1 O75874 1/20 0.37
TP53 P04637 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL2290238 0.91 SHBG (0.47) SHBGALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL3232508 0.82 CA2 (0.52) SHBGALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL2172272 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15HIF1AHSD17B10
SCHEMBL29387025 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15HIF1AHSD17B10
SCHEMBL6015498 0.79 CYP3A4 (0.51) SHBGALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL11806573 0.79 CA2 (0.48) SHBGALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL30702410 0.78 SHBG (0.55) SHBGALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL11189634 0.78 SHBG (0.46) SHBGALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL8606013 0.78 SHBG (0.55) SHBGALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL767213 0.76 SHBG (0.52) SHBGALDH1A1CYP3A4ALOX15HIF1A

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
EP-2346887-B1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2013-12-25 EP disclosed
US-8546600-B2 Slurry process for synthesis of bisphosphites and situ use thereof for producing bisphosphite DOW TECHNOLOGY INVESTMENTS LLC 2013-10-01 US disclosed
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE DOW TECHNOLOGY INVESTMENTS LLC 2011-08-11 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-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE SOST, PLCB3, PPIP5K2 SHBG 3588/4885ALDH1A1 4653/4885CYP3A4 2515/4885

“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.