SCHEMBL16052363

SCHEMBL16052363

CCOc1cc(C=O)ccc1OCCCCCOc1ccc(C=O)cc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.67
KDM4E B2RXH2 2/20 0.62
LMNA P02545 1/20 0.62
ALDH1A1 P00352 9/20 0.58
HTR1A P08908 2/20 0.56
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
NTSR1 P30989 2/20 0.55
GAA P10253 2/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
FDPS P14324 1/20 0.50

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
SCHEMBL1609108 0.93 TACR2 (0.75) TACR2KDM4ELMNAALDH1A1HTR1A
SCHEMBL662145 0.93 TACR2 (0.75) TACR2KDM4ELMNAALDH1A1HTR1A
SCHEMBL14856161 0.92 TACR2 (0.56) TACR2KDM4ELMNAALDH1A1HTR1A
SCHEMBL5216691 0.91 TACR2 (0.57) TACR2KDM4ELMNAALDH1A1HTR1A
SCHEMBL23006056 0.91 TACR2 (0.57) TACR2KDM4ELMNAALDH1A1HTR1A
SCHEMBL19658009 0.90 FDPS (0.65) TACR2LMNAALDH1A1HPGDMAPT
SCHEMBL4621810 0.88 TACR2 (0.60) TACR2KDM4ELMNAALDH1A1HTR1A
SCHEMBL11734711 0.88 TACR2 (0.60) TACR2KDM4ELMNAALDH1A1HTR1A
SCHEMBL15952102 0.87 TACR2 (0.60) TACR2KDM4ELMNAALDH1A1HTR1A
SCHEMBL21427052 0.87 TACR2 (0.52) TACR2KDM4ELMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2019-01-29 US disclosed
EP-2968585-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2018-07-18 EP disclosed
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-11-30 US disclosed
EP-3193940-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF Medimmune Limited (GB) 2017-07-26 EP disclosed
WO-2016037644-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2016-03-17 WO disclosed
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2016-02-04 US disclosed
EP-2968585-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2016-01-20 EP disclosed
WO-2014140174-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2014-09-18 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-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof CD22, GABRA1, CCNB1 TACR2 122/4885KDM4E 3120/4885LMNA 983/4885
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF GABRA3, GABRA4, AVPR1B TACR2 96/4885KDM4E 2450/4885LMNA 2301/4885
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD22, GABRA1, CCNB1 TACR2 122/4885KDM4E 3120/4885LMNA 983/4885

“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.