SCHEMBL12465711

SCHEMBL12465711

CCOC(=O)CNCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 4/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PAOX Q6QHF9 1/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL1253305 0.91 PAOX (0.55) TSHRLMNAPOLBALDH1A1KDM4E
SCHEMBL1251679 0.86 TDP1 (0.55) TDP1TSHRPOLBALDH1A1KDM4E
SCHEMBL2039034 0.84 TDP1 (0.51) TDP1TSHRLMNAPOLBCYP3A4
SCHEMBL11455501 0.82 KMT2A (0.47) TSHRLMNACYP3A4ALDH1A1KDM4E
SCHEMBL8345170 0.81 TSHR (0.55) TDP1TSHRLMNAPOLBCYP3A4
SCHEMBL26998939 0.81 TDP1 (0.47) TDP1TSHRLMNAALDH1A1KDM4E
SCHEMBL65336 0.79 TSHR (0.63) TDP1TSHRLMNAPOLBALDH1A1
SCHEMBL26292945 0.79 PAOX (0.56) TDP1TSHRLMNAPOLBALDH1A1
SCHEMBL23152727 0.78 PAOX (0.60) TDP1TSHRLMNAPOLBALDH1A1
SCHEMBL2759481 0.78 TDP1 (0.57) TDP1TSHRPOLBCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-11-20 US disclosed
US-8846647-B2 C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2670765-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY Bristol-Myers Squibb Company (US) 2013-12-11 EP disclosed
CN-103429607-A C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity BRISTOL MYERS SQUIBB CO 2013-12-04 CN disclosed
WO-2013080222-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-06-06 WO disclosed
US-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2013-02-07 US disclosed
WO-2012106190-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 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-20130035318-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CDK17 TDP1 4347/4885TSHR 4746/4885LMNA 2166/4885
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 TDP1 4254/4885TSHR 4796/4885LMNA 2154/4885
US-20140343000-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 TDP1 4254/4885TSHR 4796/4885LMNA 2154/4885

“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.