SCHEMBL8937633

SCHEMBL8937633

CC(=O)Cc1ccc(C)c(CCO)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.39
CYP4A11 Q02928 4/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CTBP2 P56545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
BACE1 P56817 1/20 0.32
SHBG P04278 1/20 0.32

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
SCHEMBL8959966 0.89 CYP4A11 (0.40) CYP4F2CYP4A11POLBNPSR1KMT2A
SCHEMBL210161 0.87 PKM (0.42) CYP4F2CYP4A11POLBKMT2AGAA
SCHEMBL7789892 0.85 POLB (0.42) POLBKMT2AGAALMNAMEN1
SCHEMBL9000900 0.81 ALDH1A1 (0.45) LMNACYP3A4ALDH1A1KDM4ESHBG
SCHEMBL2332010 0.81 SLC22A12 (0.44) POLBNPSR1KMT2AGAALMNA
SCHEMBL11158364 0.79 CYP4F2 (0.40) CYP4F2CYP4A11POLBKMT2AGAA
SCHEMBL12900623 0.77 LMNA (0.46) POLBKMT2AGAALMNAMEN1
Toluene SCHEMBL1159746 0.77 L3MBTL1 (0.41) POLBKMT2AGAALMNAMEN1
Toluene SCHEMBL8994440 0.77 L3MBTL1 (0.41) POLBKMT2AGAALMNAMEN1
Toluene SCHEMBL8907280 0.77 L3MBTL1 (0.41) POLBKMT2AGAALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1695712-A Medicine for relieving cough, reducing sputum and relieving asthma and its preparing process ZHONGHUI PHARMACY CO LTD CHENG (CN) 2005-11-16 CN claimed
US-RE49517-E1 Pyrazoles Janssen Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
CN-114350257-B Flexible coating material and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-07-19 CN disclosed
CN-114350257-A Flexible coating material and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-04-15 CN disclosed
CN-111217822-A Preparation method of tetrandrine as Chinese medicinal anti-allergy agent 上海浙星新型材料科技有限公司 2020-06-02 CN disclosed
EP-3180315-B1 PYRAZOLES JANSSEN PHARMACEUTICALS INC (US) 2020-03-18 EP disclosed
US-10155727-B2 Pyrazoles Janssen Pharmaceuticals, Inc. (US) 2018-12-18 US disclosed
US-20170275254-A1 PYRAZOLES JANSSEN PHARMACEUTICALS INC (US) 2017-09-28 US disclosed
EP-3180315-A1 PYRAZOLES Janssen Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
WO-2016025918-A1 PYRAZOLES Janssen Pharmaceuticals, Inc. (US) 2016-02-18 WO disclosed
CN-102764398-A Medicine for relieving cough, resolving sputum and relieving asthma and preparation method thereof SICHUAN SUNNYHOPE PHARMACEUTICAL CO LTD 2012-11-07 CN disclosed
CN-1695712-B Identification and inspection method of medicine for relieving cough, reducing phlegm and relieving asthma SICHUAN SHENGHE PHARMACY CO LTD 2012-09-26 CN disclosed
CN-1695712-A Medicine for relieving cough, reducing sputum and relieving asthma and its preparing process ZHONGHUI PHARMACY CO LTD CHENG (CN) 2005-11-16 CN disclosed
EP-0614367-A4 SUBSTITUTED LACTOSE AND LACTOSAMINE DERIVATIVES AS CELL ADHESION INHIBITORS. GLYCOMED INC (US) 1996-06-26 EP disclosed
WO-1994025478-A1 16α,17α-ACETAL GLUCOCORTICOSTEROIDAL DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 1994-11-10 WO disclosed
EP-0614367-A1 SUBSTITUTED LACTOSE AND LACTOSAMINE DERIVATIVES AS CELL ADHESION INHIBITORS GLYCOMED INCORPORATED (US) 1994-09-14 EP 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 (2 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-20170275254-A1 PYRAZOLES GRIN3A, GRIN1, GRIN2B CYP4F2 1813/4885CYP4A11 2535/4885POLB 4553/4885
US-10155727-B2 Pyrazoles GRIN3A, GRIN1, GRIN2B CYP4F2 1813/4885CYP4A11 2535/4885POLB 4553/4885

“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.