SCHEMBL3898751

SCHEMBL3898751

BOC(CC(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3716282 0.75 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL12618062 0.73 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL10299030 0.71 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL15909682 0.71 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL10723178 0.71 TSHR (0.32) ALDH1A1TSHRMAPK1
SCHEMBL297858 0.71 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL13986670 0.71 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL27052568 0.71 TSHR (0.38) ALDH1A1TSHRMAPK1
SCHEMBL7146135 0.69 TSHR (0.42) ALDH1A1TSHRMAPK1
SCHEMBL19978202 0.69 LMNA (0.50) ALDH1A1TSHRMAPK1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
US-7232915-B2 Process for the synthesis of 1,3-diols WARNER-LAMBERT COMPANY (US) 2007-06-19 US disclosed
EP-1054860-B1 PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS PFIZER IRELAND PHARMACEUTICALS (IE) 2007-04-25 EP disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-6962994-B2 Process for the synthesis of 1,3-diols WARNER-LAMBERT COMPANY, LLC (US) 2005-11-08 US disclosed
US-20050197500-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT L (US) 2005-09-08 US disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
US-20040006231-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT LEE (US) 2004-01-08 US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
US-6596879-B2 Beta hydroxy ketone treated with trialkylborane or dialkylalkoxyborane followed by recovery and reuse of alkylborane WARNER-LAMBERT COMPANY 2003-07-22 US disclosed
US-20020161021-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT LEE (US) 2002-10-31 US disclosed
US-6433213-B1 REDUCTION USING BORON COMPOUND WARNER-LAMBERT COMPANY 2002-08-13 US disclosed
EP-1054860-A1 PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS Warner-Lambert Export Limited (IE) 2000-11-29 EP disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1999032434-A1 PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS WARNER-LAMBERT EXPORT LIMITED (IE) 1999-07-01 WO disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO 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 (3 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-20050197500-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK ALDH1A1 307/4885TSHR 2963/4885MAPK1 372/4885
US-20020161021-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK ALDH1A1 307/4885TSHR 2963/4885MAPK1 372/4885
US-20040006231-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK ALDH1A1 307/4885TSHR 2963/4885MAPK1 372/4885

“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.