SCHEMBL17486683

SCHEMBL17486683

CC(=O)Oc1ccc(COC(=O)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.53
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ AR P10275 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL26417660 0.91 ELANE (0.59) ELANELMNAALDH1A1HTR2A
SCHEMBL8033783 0.87 ALDH1A1 (0.62) ELANELMNAALDH1A1POLBMAPT
SCHEMBL24983721 0.87 ALDH1A1 (0.62) LMNAALDH1A1POLBKMT2A
SCHEMBL15762727 0.87 ALDH1A1 (0.48) ELANELMNAALDH1A1POLBKMT2A
SCHEMBL6666839 0.85 LMNA (0.53) ELANELMNAALDH1A1POLBMAPT
SCHEMBL20467620 0.85 ESR1 (0.53) ELANELMNAHTR2AKMT2AESR1
SCHEMBL4456075 0.84 ALDH1A1 (0.55) ALDH1A1POLBMAPT
SCHEMBL23417721 0.82 TOP2A (0.55) ELANELMNAALDH1A1
SCHEMBL12526433 0.82 LMNA (0.50) ELANELMNAALDH1A1POLBMAPT
SCHEMBL4032287 0.82 ALDH1A1 (0.56) ELANELMNAALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 — — US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 — — US disclosed
US-11370801-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2022-06-28 — — US disclosed
US-20220160881-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER MEDIMMUNE LIMITED (GB) 2022-05-26 — — US disclosed
US-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-12-09 — — US disclosed
US-20210316006-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-10-14 — — US disclosed
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-16 — — US disclosed
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
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2016-02-04 — — 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 (9 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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 ELANE 4174/4885LMNA 3019/4885ALDH1A1 638/4885
US-11370801-B2 Pyrrolobenzodiazepine conjugates NR0B2, HRH3, NR0B1 ELANE 3484/4885LMNA 2492/4885ALDH1A1 1745/4885
US-20210316006-A1 PYRROLOBENZODIAZEPINE CONJUGATES BCR, MCL1, CD79B ELANE 4390/4885LMNA 2504/4885ALDH1A1 737/4885
US-20200115390-A1 PYRROLOBENZODIAZEPINE CONJUGATES NR0B2, HRH3, NR0B1 ELANE 3484/4885LMNA 2492/4885ALDH1A1 1745/4885
US-20220160881-A1 AZETIDOBENZODIAZEPINE DIMERS AND CONJUGATES COMPRISING THEM FOR USE IN THE TREATMENT OF CANCER BCR, UGT2B17, BCL6B ELANE 4465/4885LMNA 3174/4885ALDH1A1 692/4885
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof CD22, GABRA1, CCNB1 ELANE 1809/4885LMNA 983/4885ALDH1A1 1275/4885
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF GABRA3, GABRA4, AVPR1B ELANE 3733/4885LMNA 2301/4885ALDH1A1 450/4885
US-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES PRLHR, GLRA1, CXCR1 ELANE 4471/4885LMNA 1267/4885ALDH1A1 1373/4885
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD22, GABRA1, CCNB1 ELANE 1809/4885LMNA 983/4885ALDH1A1 1275/4885

“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.

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