SCHEMBL899006

SCHEMBL899006

CC(C)(C)Cc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
ALDH1A1 P00352 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
MAPK1 P28482 4/20 0.65
LMNA P02545 3/20 0.65
MAPT P10636 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
CASP3 P42574 2/20 0.55
SENP8 Q96LD8 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
PLA2G1B P04054 2/20 0.55
ATG4B Q9Y4P1 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ATM Q13315 2/20 0.53
CYP3A4 P08684 2/20 0.50
ELANE P08246 1/20 0.50

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
SCHEMBL20871663 0.84 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL2107773 0.79 NPC1 (0.72) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
Anthraquinone SCHEMBL6310187 0.79 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL36840 0.79 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL29352712 0.79 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL26190669 0.78 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL18015979 0.77 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL29904176 0.77 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7318179 0.77 NPC1 (0.96) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
Water SCHEMBL28061572 0.77 NPC1 (0.96) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348464-B1 2-NEOPENTYLANTHRAQUINONE BASF Aktiengesellschaft (DE) 1993-03-31 EP claimed
US-5107004-A 2-NEOPENTYLANTHRAQUINONE, PROCESSES FOR ITS PREPARATION AND METHODS FOR ITS USE BASF AKTIENGESELLSCHAFT (DE) 1992-04-21 US claimed
EP-0348464-A1 2-NEOPENTYLANTHRAQUINONE BASF Aktiengesellschaft (DE) 1990-01-03 EP claimed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
WO-2023102759-A1 A COMPOSITION COMPRISING 2-AMYLENYL-ANTHRAQUINONES, PREPARATION METHOD AND ITS USE THEREOF SOLVAY SA (BE) 2023-06-15 WO disclosed
US-11518827-B2 Curable composition, method for producing curable composition, film, color filter, method for manufacturing color filter, solid-state imaging element, and image display device FUJIFILM CORPORATION (JP) 2022-12-06 US disclosed
CN-112007689-B Catalyst and preparation method and application thereof 大连理工大学 2021-10-19 CN disclosed
US-20210278761-A1 COLORING PHOTOSENSITIVE COMPOSITION, FILM, COLOR FILTER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-09-09 US disclosed
US-20210122850-A1 CURABLE COMPOSITION, METHOD FOR PRODUCING CURABLE COMPOSITION, FILM, COLOR FILTER, METHOD FOR MANUFACTURING COLOR FILTER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-04-29 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
WO-1999052819-A1 METHOD FOR PRODUCING HYDROGEN PEROXIDE AND REACTION CARRIERS FOR CARRYING OUT THE METHOD Degussa-Hüls Aktiengesellschaft (DE) 1999-10-21 WO disclosed
EP-0348464-B1 2-NEOPENTYLANTHRAQUINONE BASF Aktiengesellschaft (DE) 1993-03-31 EP disclosed
EP-0348464-B1 2-NEOPENTYLANTHRAQUINONE BASF Aktiengesellschaft (DE) 1993-03-31 EP disclosed
US-5107004-A 2-NEOPENTYLANTHRAQUINONE, PROCESSES FOR ITS PREPARATION AND METHODS FOR ITS USE BASF AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
US-5107004-A 2-NEOPENTYLANTHRAQUINONE, PROCESSES FOR ITS PREPARATION AND METHODS FOR ITS USE BASF AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
EP-0348464-A1 2-NEOPENTYLANTHRAQUINONE BASF Aktiengesellschaft (DE) 1990-01-03 EP disclosed
EP-0348464-A1 2-NEOPENTYLANTHRAQUINONE BASF Aktiengesellschaft (DE) 1990-01-03 EP disclosed
WO-1989002886-A3 2-NEOPENTYLANTHRAQUINONE BASF AG (DE) 1989-05-05 WO disclosed
WO-1989002886-A2 2-NEOPENTYLANTHRAQUINONE BASF AKTIENGESELLSCHAFT (DE) 1989-04-06 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 (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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 NPC1 4417/4885RAB9A 1650/4885ALDH1A1 383/4885
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 NPC1 4527/4885RAB9A 3172/4885ALDH1A1 1438/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 NPC1 4435/4885RAB9A 1211/4885ALDH1A1 983/4885

“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.