SCHEMBL1096587

SCHEMBL1096587

O=C(O)OC(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 4/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL984298 0.86 CYP2D6 (0.44) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL27840777 0.86 CYP2D6 (0.44) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL825537 0.84 CYP2D6 (0.48) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL1408551 0.83 ALDH1A1 (0.55) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL9815844 0.83 ESR1 (0.42) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL286761 0.83 CYP2D6 (0.48) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL9860565 0.81 HCAR2 (0.56) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL28435260 0.81 CYP2D6 (0.40) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL5421978 0.81 TSHR (0.57) CYP2D6TSHRLMNAKMT2ACES2
SCHEMBL27847316 0.81 ACE (0.44) CYP2D6SRCTSHRLMNAMAPK1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787139-B Methods and intermediates for preparing MCL1 inhibitors 吉利德科学公司 2025-03-11 CN disclosed
CN-114621222-B 6-6 Fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2024-12-17 CN disclosed
CN-118557747-A Conjugates of cell binding molecules and camptothecin analogs 杭州多禧生物科技有限公司 2024-08-30 CN disclosed
CN-110573511-B 6-6 fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2023-04-25 CN disclosed
CN-115443134-A Conjugates of cell binding molecules and camptothecin analogs 杭州多禧生物科技有限公司 2022-12-06 CN disclosed
CN-113195487-A 2, 3-diaminosuccinyl conjugate linkers 杭州多禧生物科技有限公司 2021-07-30 CN disclosed
CN-108395374-B Process for producing diaryl carbonate 旭化成株式会社 2021-03-30 CN disclosed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN disclosed
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
CN-111048841-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-21 CN disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 EP disclosed
US-20120097884-A1 USE OF AEROGELS FOR PREPARING A MATERIAL FOR THERMAL INSULATION INSTITUT NATIONAL POLYTECHNIQUE DE LORRAINE (FR) 2012-04-26 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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 (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-20120097884-A1 USE OF AEROGELS FOR PREPARING A MATERIAL FOR THERMAL INSULATION IAPP, AQP1, AMY1A CYP2D6 2995/4885SRC 4109/4885TSHR 3626/4885
US-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 CYP2D6 2639/4885SRC 1354/4885TSHR 4563/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN CYP2D6 1353/4885SRC 4255/4885TSHR 3291/4885
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 CYP2D6 492/4885SRC 1780/4885TSHR 312/4885

“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.