SCHEMBL7628517

SCHEMBL7628517

CCCCC(CC)(CN)CCN

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
EPHX1 P07099 1/20 0.36
FDPS P14324 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
SCHEMBL10313065 0.93 FDPS (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28654242 0.91 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL27421 0.91 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6398037 0.90 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9947119 0.88 FDPS (0.37) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19283464 0.87 FDPS (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8432610 0.87 FDPS (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL17243595 0.87 CYP2D6 (0.30)
SCHEMBL3620823 0.86 FDPS (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3622828 0.84 DNM1 (0.46) DNM1MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410778-B1 None US disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
WO-2008011561-A2 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-24 WO disclosed
CN-1101808-C Preparation of organic diurethanes and/or polyurethanes and application thereof in preparation of di-and/or polyisocyanates BASF AG (DE) 2003-02-19 CN disclosed
US-6410778-B2 REACTING ORGANIC DIAMINES OR POLYAMINES WITH UREA AND/OR ALKYL CARBAMATES, OR MIXTURE OF UREA, ALKYL CARBAMATE AND/OR DIALKYL CARBONATES, ALCOHOL IN PRESENCE OF A SOLUBLE ZIRCONIUM COMPOUND CATALYST; THERMAL DECOMPOSITION OF PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-20010005761-A1 METHOD OF PRODUCING ORGANIC DIURETHANES AND/OR POLYURETHANES AND THEIR USE IN THE PRODUCTION OF DI-AND/OR POLYISOCYANATES LAQUA GERHARD (DE) 2001-06-28 US disclosed
CN-1201450-A Method for producing organic diurethanes and/or polyurethanes and their use in production of di-and/or polyisocyanates BASF AG (DE) 1998-12-09 CN 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-20010005761-A1 METHOD OF PRODUCING ORGANIC DIURETHANES AND/OR POLYURETHANES AND THEIR USE IN THE PRODUCTION OF DI-AND/OR POLYISOCYANATES UROD, AOC1, SAT1 DNM1 3889/4885MEN1 3677/4885KMT2A 528/4885
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL DNM1 612/4885MEN1 2403/4885KMT2A 1064/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL DNM1 612/4885MEN1 2403/4885KMT2A 1064/4885

“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.