SCHEMBL16149017

SCHEMBL16149017

O=C1CCC(O)=C1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
TAAR1 Q96RJ0 2/20 0.45
TSHR P16473 1/20 0.43
CALM1 P0DP23 1/20 0.41
LMNA P02545 2/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
IDH1 O75874 4/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.37
NQO1 P15559 1/20 0.37
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
SORT1 Q99523 1/20 0.36

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
SCHEMBL12457724 0.89 LMNA (0.48) CYP1A2CYP2C9MAPK1HIF1ATAAR1
SCHEMBL16545853 0.85 ESR1 (0.48) ALDH1A1MAPTIDH1
SCHEMBL14321667 0.81 VKORC1 (0.37) TAAR1LMNAMAPT
SCHEMBL14327853 0.77 XIAP (0.39) TAAR1TSHRMAP1LC3B
SCHEMBL9861098 0.77 MAPK1 (0.42) CYP1A2CYP2C9MAPK1HIF1ATAAR1
SCHEMBL3895689 0.72 TSHR (0.47) CYP1A2CYP2C9MAPK1HIF1ATSHR
SCHEMBL10366435 0.72 MAOA (0.41) CYP1A2CYP2C9MAPK1HIF1ATSHR
SCHEMBL17480820 0.69 CYP1A2 (0.44) CYP1A2CYP2C9MAPK1HIF1ACALM1
SCHEMBL12028696 0.67 CYP1A2 (0.57) CYP1A2CYP2C9MAPK1HIF1ALMNA
SCHEMBL7121422 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3038612-B1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-29 EP disclosed
US-10351511-B2 Cyclic vinylogous amides as bromodomain inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-07-16 US disclosed
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-04-19 US disclosed
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-04-19 US disclosed
US-9884806-B2 Cyclic vinylogous amides as bromodomain inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-02-06 US disclosed
US-9884806-B2 Cyclic vinylogous amides as bromodomain inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-02-06 US disclosed
US-9643919-B2 Cycloalkyl-dione derivatives and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-09 US disclosed
US-9643919-B2 Cycloalkyl-dione derivatives and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-09 US disclosed
US-9643919-B2 Cycloalkyl-dione derivatives and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-09 US disclosed
US-20160200666-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-07-14 US disclosed
US-20160200666-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-07-14 US disclosed
WO-2015031824-A9 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-06-16 WO disclosed
US-20160031805-A1 CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031805-A1 CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031805-A1 CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
WO-2015031824-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-03-05 WO disclosed
WO-2014165633-A1 CYCLOAKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLAVANIA (US) 2014-10-09 WO disclosed
WO-2014165633-A1 CYCLOAKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLAVANIA (US) 2014-10-09 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 (4 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-20160200666-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRDT CYP1A2 3501/4885CYP2C9 4262/4885MAPK1 2122/4885
US-10351511-B2 Cyclic vinylogous amides as bromodomain inhibitors BRD1, BRD4, BRDT CYP1A2 3501/4885CYP2C9 4262/4885MAPK1 2122/4885
US-20160031805-A1 CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE CYP1B1, SQLE, C1S CYP1A2 11/4885CYP2C9 109/4885MAPK1 1497/4885
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRDT CYP1A2 3501/4885CYP2C9 4262/4885MAPK1 2122/4885

“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.