Sugi Predict

Sugi Predict / Compounds / SCHEMBL3753584

SCHEMBL3753584

SCHEMBL3753584

Cc1cccc(C(=O)C(=O)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 6/20 0.65
▸ CES1 P23141 6/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ PARP1 P09874 1/20 0.61
▸ POLB P06746 3/20 0.59
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KCNK3 O14649 2/20 0.56
▸ KCNK9 Q9NPC2 2/20 0.56
▸ MAPT P10636 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ KCNH2 Q12809 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51

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
SCHEMBL31529061 1.00 CES2 (0.65) CES2CES1SMN1; SMN2PARP1POLB
SCHEMBL3753879 0.93 PARP1 (0.68) CES2CES1SMN1; SMN2PARP1POLB
SCHEMBL2060236 0.87 PARP1 (0.61) CES2CES1SMN1; SMN2PARP1POLB
SCHEMBL29922789 0.87 PARP1 (0.61) CES2CES1SMN1; SMN2PARP1POLB
Benzil SCHEMBL9504586 0.86 CES2 (0.86) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL3063840 0.84 NT5E (0.61) CES2CES1SMN1; SMN2PARP1HDAC8
Benzil SCHEMBL27849222 0.84 CES2 (0.74) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL10410934 0.84 CES2 (0.78) CES2CES1TDP1RAB9A
SCHEMBL30832109 0.83 SMN1; SMN2 (0.54) CES2CES1SMN1; SMN2PARP1POLB
SCHEMBL81347 0.83 ATM (0.71) SMN1; SMN2PARP1POLBHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071409-B Process for preparing substituted bicyclo [ 111 ] pentanes 斯帕罗化学股份公司 2021-09-17 — — CN disclosed
US-10513483-B2 Method of preparing substituted bicyclo[1.1.1] pentanes SPIROCHEM AG (CH) 2019-12-24 — — US disclosed
US-20190092714-A1 METHOD OF PREPARING SUBSTITUTED BICYCLO[1.1.1] PENTANES SPIROCHM AG (CH) 2019-03-28 — — US disclosed
EP-3429986-A1 METHOD OF PREPARING SUBSTITUTED BICYCLO[1 1 1]PENTANES Spirochem AG (CH) 2019-01-23 — — EP disclosed
EP-2738611-B1 Positively chargeable monolayer electrophotographic photosensitive member and image forming apparatus KYOCERA DOCUMENT SOLUTIONS INC (JP) 2018-03-28 — — EP disclosed
WO-2017157932-A1 METHOD OF PREPARING SUBSTITUTED BICYCLO[1 1 1]PENTANES SPIROCHEM AG (CH) 2017-09-21 — — WO disclosed
US-9541849-B2 Positively chargeable single-layer electrophotographic photosensitive member and image forming apparatus KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2017-01-10 — — US disclosed
US-9293713-B2 Arylamine compound RICOH COMPANY, LTD. (JP) 2016-03-22 — — US disclosed
US-8980507-B2 Positively chargeable monolayer electrophotographic photosensitive member and image forming apparatus KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2015-03-17 — — US disclosed
CN-102906215-B Photochromic material MITSUBISHI GAS CHEMICAL CO 2014-11-05 — — CN disclosed
US-20130225858-A1 ARYLAMINE COMPOUND RICOH COMPANY, LTD. (JP) 2013-08-29 — — US disclosed
CN-102906215-A Photochromic material MITSUBISHI GAS CHEMICAL CO 2013-01-30 — — CN disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 — — US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 — — US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 — — US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 — — US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 — — US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 — — US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 — — WO disclosed
US-4009022-A Selective antagonists for triazine herbicides ROHM AND HAAS COMPANY (US) 1977-02-22 — — 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 (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-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 CES2 1387/4885CES1 4295/4885SMN1; SMN2 1452/4885
US-20190092714-A1 METHOD OF PREPARING SUBSTITUTED BICYCLO[1.1.1] PENTANES PTGER1, PARP1, PARP11 CES2 1646/4885CES1 428/4885SMN1; SMN2 3546/4885
US-10513483-B2 Method of preparing substituted bicyclo[1.1.1] pentanes PTGER1, PARP1, PARP11 CES2 1646/4885CES1 428/4885SMN1; SMN2 3546/4885

“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.